data_2lum_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 2lum _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' LYS . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.536 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' LYS . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.561 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 17' ' ' THR . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 3' ' ' TYR . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 45' ' ' TYR . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.735 HG23 ' HB1' ' A' ' 20' ' ' ALA . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.41 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 23' ' ' ALA . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.636 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.681 HD23 ' CG2' ' A' ' 16' ' ' THR . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.681 ' CG2' HD23 ' A' ' 5' ' ' LEU . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG22 ' A' ' 18' ' ' THR . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.669 ' HB3' HG22 ' A' ' 49' ' ' THR . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.669 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 26' ' ' ALA . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 30' ' ' PHE . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.435 HG22 ' OE2' ' A' ' 15' ' ' GLU . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 39' ' ' VAL . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 6' ' ' VAL . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.499 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.715 HG23 ' OD2' ' A' ' 22' ' ' ASP . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.715 ' OD2' HG23 ' A' ' 21' ' ' VAL . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 HD23 ' A' ' 12' ' ' LEU . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 55' ' ' THR . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.67 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 42' ' ' VAL . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD ' ' A' ' 4' ' ' LYS . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.818 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' HD13 ' A' ' 5' ' ' LEU . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 HG21 ' A' ' 39' ' ' VAL . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.757 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.757 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.476 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.69 HG13 ' HG2' ' A' ' 56' ' ' GLU . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.69 ' HG2' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD22 ' HD1' ' A' ' 30' ' ' PHE . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 33' ' ' TYR . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.542 HD23 ' CG2' ' A' ' 39' ' ' VAL . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD1' HG22 ' A' ' 25' ' ' THR . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.026 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' HD1' HD22 ' A' ' 5' ' ' LEU . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.443 ' HE1' HD11 ' A' ' 7' ' ' ILE . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.542 ' CG2' HD23 ' A' ' 12' ' ' LEU . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 16' ' ' THR . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 15' ' ' GLU . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.559 HD11 ' HE1' ' A' ' 33' ' ' TYR . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 39' ' ' VAL . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' HE1' HD11 ' A' ' 7' ' ' ILE . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.565 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 55' ' ' THR . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.639 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 42' ' ' VAL . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' HG13 ' A' ' 39' ' ' VAL . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 6' ' ' VAL . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.626 ' H ' HD12 ' A' ' 5' ' ' LEU . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG21 HD23 ' A' ' 12' ' ' LEU . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 7' ' ' ILE . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.402 ' HE1' HD11 ' A' ' 7' ' ' ILE . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.686 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.686 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' HG3' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 15' ' ' GLU . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.48 HD11 ' HE2' ' A' ' 33' ' ' TYR . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HG3' HG22 ' A' ' 6' ' ' VAL . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 4' ' ' LYS . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.48 ' HE2' HD11 ' A' ' 7' ' ' ILE . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.83 HG12 HG23 ' A' ' 44' ' ' THR . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.83 HG23 HG12 ' A' ' 42' ' ' VAL . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.73 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 54' ' ' VAL . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.61 ' H ' HD12 ' A' ' 5' ' ' LEU . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 29' ' ' ALA . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 18' ' ' THR . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 50' ' ' LYS . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 5' ' ' LEU . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 39' ' ' VAL . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 5' ' ' LEU . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 19' ' ' LYS . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' THR . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.737 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CD1' HD23 ' A' ' 5' ' ' LEU . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 12' ' ' LEU . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.66 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.725 ' HB2' HD22 ' A' ' 5' ' ' LEU . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 54' ' ' VAL . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' VAL . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.566 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.547 HG21 ' HB1' ' A' ' 26' ' ' ALA . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' VAL . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.62 ' CG2' HD23 ' A' ' 5' ' ' LEU . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.459 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.826 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 21' ' ' VAL . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.826 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD1' HD22 ' A' ' 5' ' ' LEU . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.67 HG13 ' OE2' ' A' ' 56' ' ' GLU . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.637 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 46' ' ' ASP . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 5' ' ' LEU . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE2' HG13 ' A' ' 39' ' ' VAL . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD23 ' CG2' ' A' ' 39' ' ' VAL . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.748 HG23 ' OD2' ' A' ' 22' ' ' ASP . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.748 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 12' ' ' LEU . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' ' HB2' ' A' ' 34' ' ' ALA . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 10' ' ' LYS . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD23 ' CG2' ' A' ' 39' ' ' VAL . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.758 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.705 ' CG2' HD23 ' A' ' 12' ' ' LEU . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.665 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 54' ' ' VAL . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.6 ' CG2' HG11 ' A' ' 39' ' ' VAL . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 39' ' ' VAL . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 30' ' ' PHE . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 4' ' ' LYS . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.481 ' HE1' HG23 ' A' ' 16' ' ' THR . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB3' HD22 ' A' ' 12' ' ' LEU . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' VAL . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.704 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 5' ' ' LEU . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 12' ' ' LEU . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.685 HG23 HG11 ' A' ' 39' ' ' VAL . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 22' ' ' ASP . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 21' ' ' VAL . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 7' ' ' ILE . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 HG23 ' A' ' 7' ' ' ILE . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.71 ' HB3' HG22 ' A' ' 49' ' ' THR . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD22 ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 15' ' ' GLU . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 HG21 ' A' ' 39' ' ' VAL . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 6' ' ' VAL . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.726 ' HB ' HD23 ' A' ' 5' ' ' LEU . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.532 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.738 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG21 HD23 ' A' ' 12' ' ' LEU . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.429 ' H2 ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 30' ' ' PHE . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.533 HG22 ' OE2' ' A' ' 15' ' ' GLU . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.602 ' HA ' HG13 ' A' ' 54' ' ' VAL . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' OE2' HG22 ' A' ' 6' ' ' VAL . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.676 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 18' ' ' THR . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' OD1' HD21 ' A' ' 12' ' ' LEU . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.639 HD11 HG12 ' A' ' 54' ' ' VAL . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LYS . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 18' ' ' THR . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.698 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' OD1' HD21 ' A' ' 12' ' ' LEU . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.639 HG12 HD11 ' A' ' 5' ' ' LEU . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 17' ' ' THR . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 54' ' ' VAL . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.502 ' H ' HD12 ' A' ' 5' ' ' LEU . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-20 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.626 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 5' ' ' LEU . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' HG22 ' A' ' 17' ' ' THR . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 30' ' ' PHE . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.548 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.578 ' HA ' HG13 ' A' ' 54' ' ' VAL . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.517 HG21 ' CD2' ' A' ' 33' ' ' TYR . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.606 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.672 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE2' HG22 ' A' ' 18' ' ' THR . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 16' ' ' THR . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 17' ' ' THR . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 30' ' ' PHE . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.564 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 39' ' ' VAL . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 5' ' ' LEU . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.673 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.747 HG23 ' HB1' ' A' ' 20' ' ' ALA . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.616 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 30' ' ' PHE . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.571 ' OD1' HD21 ' A' ' 12' ' ' LEU . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 7' ' ' ILE . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' THR . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 54' ' ' VAL . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.557 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 37' ' ' ASN . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 12' ' ' LEU . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG13 ' OG1' ' A' ' 55' ' ' THR . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' HG23 ' A' ' 54' ' ' VAL . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 5' ' ' LEU . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 30' ' ' PHE . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.696 ' CG2' HD23 ' A' ' 5' ' ' LEU . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.805 ' CD1' HD22 ' A' ' 5' ' ' LEU . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.632 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' CD1' ' A' ' 30' ' ' PHE . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.44 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CD1' HD22 ' A' ' 5' ' ' LEU . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.706 HD11 HG12 ' A' ' 54' ' ' VAL . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 4' ' ' LYS . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.664 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.565 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 5' ' ' LEU . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 16' ' ' THR . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG22 ' OE2' ' A' ' 15' ' ' GLU . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE2' HG22 ' A' ' 6' ' ' VAL . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 4' ' ' LYS . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.67 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 12' ' ' LEU . 29.2 m-20 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG13 ' HG3' ' A' ' 56' ' ' GLU . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CH2' HD11 ' A' ' 5' ' ' LEU . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 54' ' ' VAL . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.827 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' O ' HG22 ' A' ' 17' ' ' THR . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 17' ' ' THR . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 11' ' ' THR . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 10' ' ' LYS . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.607 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.931 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 43' ' ' TRP . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' OD1' HD21 ' A' ' 12' ' ' LEU . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.512 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 42' ' ' VAL . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 7' ' ' ILE . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' HA ' HG13 ' A' ' 54' ' ' VAL . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.756 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 39' ' ' VAL . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.662 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 54' ' ' VAL . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.536 ' N ' HD12 ' A' ' 5' ' ' LEU . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' HE1' ' A' ' 30' ' ' PHE . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 4' ' ' LYS . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.514 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HE1' HG23 ' A' ' 16' ' ' THR . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.744 HG13 ' HG3' ' A' ' 56' ' ' GLU . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.673 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.673 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 5' ' ' LEU . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.744 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.607 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' LYS . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' CE2' ' A' ' 33' ' ' TYR . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CE2' HG21 ' A' ' 16' ' ' THR . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 6' ' ' VAL . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.559 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' HG13 ' A' ' 54' ' ' VAL . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.751 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 6' ' ' VAL . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 5' ' ' LEU . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' HG22 ' A' ' 6' ' ' VAL . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 4' ' ' LYS . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 12' ' ' LEU . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' NE1' HG23 ' A' ' 54' ' ' VAL . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' OG1' ' A' ' 51' ' ' THR . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.542 ' OG1' HG23 ' A' ' 49' ' ' THR . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' NE1' ' A' ' 43' ' ' TRP . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 17' ' ' THR . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 30' ' ' PHE . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.562 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.711 HD23 ' CG2' ' A' ' 39' ' ' VAL . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.717 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.711 ' CG2' HD23 ' A' ' 12' ' ' LEU . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 HD11 ' A' ' 5' ' ' LEU . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 30' ' ' PHE . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.672 HG22 ' OE2' ' A' ' 15' ' ' GLU . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.672 ' OE2' HG22 ' A' ' 6' ' ' VAL . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.494 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.587 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.781 ' CD1' HD22 ' A' ' 5' ' ' LEU . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CE3' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG22 ' CE3' ' A' ' 43' ' ' TRP . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 55' ' ' THR . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD11 HG12 ' A' ' 54' ' ' VAL . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.571 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 42' ' ' VAL . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 HD11 ' A' ' 5' ' ' LEU . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD23 ' OG1' ' A' ' 16' ' ' THR . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.574 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.747 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' CD2' HG21 ' A' ' 16' ' ' THR . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' A' ' 55' ' ' THR . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' N ' HG12 ' A' ' 42' ' ' VAL . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 5' ' ' LEU . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.583 HD11 ' CG2' ' A' ' 54' ' ' VAL . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 37' ' ' ASN . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.733 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 22' ' ' ASP . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 21' ' ' VAL . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.631 ' HB3' HD21 ' A' ' 12' ' ' LEU . 21.0 m120 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.634 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG2' HD11 ' A' ' 5' ' ' LEU . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 17' ' ' THR . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 15' ' ' GLU . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 6' ' ' VAL . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' THR . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' N ' HG12 ' A' ' 42' ' ' VAL . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' A' ' 17' ' ' THR . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 HG21 ' A' ' 54' ' ' VAL . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' HG11 ' A' ' 39' ' ' VAL . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CE1' HG22 ' A' ' 18' ' ' THR . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' CG2' ' A' ' 7' ' ' ILE . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 5' ' ' LEU . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.617 HD11 ' CG2' ' A' ' 54' ' ' VAL . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 12' ' ' LEU . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.79 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.693 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.617 ' CG2' HD11 ' A' ' 5' ' ' LEU . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.504 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 16' ' ' THR . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.73 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' A' ' 18' ' ' THR . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 5' ' ' LEU . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 52' ' ' PHE . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.504 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.408 HG22 ' HD3' ' A' ' 4' ' ' LYS . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 5' ' ' LEU . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 16' ' ' THR . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 ' HB ' HG22 ' A' ' 55' ' ' THR . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' OD2' HG22 ' A' ' 49' ' ' THR . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.601 HG22 ' OD2' ' A' ' 46' ' ' ASP . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.597 ' OG1' HG23 ' A' ' 49' ' ' THR . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 5' ' ' LEU . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.599 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 39' ' ' VAL . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 5' ' ' LEU . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' A' ' 16' ' ' THR . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 8' ' ' ASN . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.739 HD22 ' CD1' ' A' ' 30' ' ' PHE . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.634 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.739 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 12' ' ' LEU . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 16' ' ' THR . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 18' ' ' THR . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 49' ' ' THR . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 17' ' ' THR . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.418 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 ' CE ' ' A' ' 4' ' ' LYS . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.612 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' HG23 ' A' ' 39' ' ' VAL . 15.0 m120 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 HG22 ' A' ' 55' ' ' THR . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.703 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.418 HG22 HG22 ' A' ' 42' ' ' VAL . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.49 HG23 HG11 ' A' ' 39' ' ' VAL . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.702 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.798 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HG23 ' A' ' 7' ' ' ILE . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 17' ' ' THR . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 7' ' ' ILE . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.427 HG22 ' OE2' ' A' ' 15' ' ' GLU . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 5' ' ' LEU . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE2' HG22 ' A' ' 6' ' ' VAL . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LYS . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.589 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.769 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.769 HG23 ' HB1' ' A' ' 20' ' ' ALA . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.677 ' OD2' HG22 ' A' ' 49' ' ' THR . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' OD2' ' A' ' 46' ' ' ASP . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 ' OG1' HG23 ' A' ' 49' ' ' THR . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' PHE . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG23 HG11 ' A' ' 39' ' ' VAL . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 30' ' ' PHE . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.781 ' HB3' HD22 ' A' ' 5' ' ' LEU . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 5' ' ' LEU . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.736 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.685 ' CG2' HG11 ' A' ' 39' ' ' VAL . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.653 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.653 ' CZ ' HG22 ' A' ' 18' ' ' THR . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 ' CG2' ' A' ' 7' ' ' ILE . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 55' ' ' THR . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' N ' HG22 ' A' ' 42' ' ' VAL . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 5' ' ' LEU . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' HG12 ' A' ' 42' ' ' VAL . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 54' ' ' VAL . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.714 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CZ ' HG22 ' A' ' 18' ' ' THR . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.584 ' CG2' HD23 ' A' ' 12' ' ' LEU . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' OD2' HG22 ' A' ' 49' ' ' THR . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 ' OG1' HG23 ' A' ' 49' ' ' THR . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HD3' HG22 ' A' ' 17' ' ' THR . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' OG1' ' A' ' 16' ' ' THR . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 39' ' ' VAL . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.649 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.697 HG22 ' HD3' ' A' ' 4' ' ' LYS . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 18' ' ' THR . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 39' ' ' VAL . 26.4 m120 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' VAL . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' N ' HG12 ' A' ' 42' ' ' VAL . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' OG1' ' A' ' 16' ' ' THR . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.505 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CZ ' ' ND2' ' A' ' 37' ' ' ASN . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.8 m-20 -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.707 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 43' ' ' TRP . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' H ' HG12 ' A' ' 42' ' ' VAL . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 30' ' ' PHE . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 53' ' ' THR . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 HG23 ' HB1' ' A' ' 20' ' ' ALA . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.797 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.812 ' HB3' HD22 ' A' ' 5' ' ' LEU . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 ' HB ' ' A' ' 55' ' ' THR . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 6' ' ' VAL . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.679 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' CG ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 30' ' ' PHE . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 37' ' ' ASN . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.128 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.128 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.732 ' HB3' HD22 ' A' ' 5' ' ' LEU . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.615 ' HB3' HD21 ' A' ' 12' ' ' LEU . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.583 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.583 ' OG1' HG23 ' A' ' 49' ' ' THR . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 17' ' ' THR . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 3' ' ' TYR . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 45' ' ' TYR . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.735 HG23 ' HB1' ' A' ' 20' ' ' ALA . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.41 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 23' ' ' ALA . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.636 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.681 HD23 ' CG2' ' A' ' 16' ' ' THR . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.681 ' CG2' HD23 ' A' ' 5' ' ' LEU . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG22 ' A' ' 18' ' ' THR . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.669 ' HB3' HG22 ' A' ' 49' ' ' THR . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.669 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 26' ' ' ALA . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 30' ' ' PHE . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.435 HG22 ' OE2' ' A' ' 15' ' ' GLU . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 39' ' ' VAL . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 6' ' ' VAL . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.499 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.715 HG23 ' OD2' ' A' ' 22' ' ' ASP . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.715 ' OD2' HG23 ' A' ' 21' ' ' VAL . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 HD23 ' A' ' 12' ' ' LEU . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 55' ' ' THR . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.67 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 42' ' ' VAL . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD ' ' A' ' 4' ' ' LYS . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.818 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' HD13 ' A' ' 5' ' ' LEU . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 HG21 ' A' ' 39' ' ' VAL . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.757 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.757 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.476 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.69 HG13 ' HG2' ' A' ' 56' ' ' GLU . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.69 ' HG2' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD22 ' HD1' ' A' ' 30' ' ' PHE . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 33' ' ' TYR . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD23 ' CG2' ' A' ' 39' ' ' VAL . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD1' HG22 ' A' ' 25' ' ' THR . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.026 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' HD1' HD22 ' A' ' 5' ' ' LEU . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.443 ' HE1' HD11 ' A' ' 7' ' ' ILE . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.542 ' CG2' HD23 ' A' ' 12' ' ' LEU . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 16' ' ' THR . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 15' ' ' GLU . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.559 HD11 ' HE1' ' A' ' 33' ' ' TYR . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 39' ' ' VAL . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' HE1' HD11 ' A' ' 7' ' ' ILE . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.565 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 55' ' ' THR . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.639 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 42' ' ' VAL . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' HG13 ' A' ' 39' ' ' VAL . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 6' ' ' VAL . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.626 ' H ' HD12 ' A' ' 5' ' ' LEU . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG21 HD23 ' A' ' 12' ' ' LEU . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 7' ' ' ILE . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' HE1' HD11 ' A' ' 7' ' ' ILE . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.686 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.686 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' HG3' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 15' ' ' GLU . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.48 HD11 ' HE2' ' A' ' 33' ' ' TYR . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HG3' HG22 ' A' ' 6' ' ' VAL . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 4' ' ' LYS . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.48 ' HE2' HD11 ' A' ' 7' ' ' ILE . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.83 HG12 HG23 ' A' ' 44' ' ' THR . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.83 HG23 HG12 ' A' ' 42' ' ' VAL . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.73 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 54' ' ' VAL . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.61 ' H ' HD12 ' A' ' 5' ' ' LEU . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 29' ' ' ALA . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 18' ' ' THR . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 50' ' ' LYS . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 5' ' ' LEU . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 39' ' ' VAL . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 5' ' ' LEU . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 19' ' ' LYS . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' THR . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.737 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CD1' HD23 ' A' ' 5' ' ' LEU . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 12' ' ' LEU . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.66 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.725 ' HB2' HD22 ' A' ' 5' ' ' LEU . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 54' ' ' VAL . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' VAL . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.566 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.547 HG21 ' HB1' ' A' ' 26' ' ' ALA . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' VAL . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.62 ' CG2' HD23 ' A' ' 5' ' ' LEU . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.459 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.826 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 21' ' ' VAL . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.826 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD1' HD22 ' A' ' 5' ' ' LEU . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.67 HG13 ' OE2' ' A' ' 56' ' ' GLU . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.637 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 46' ' ' ASP . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 5' ' ' LEU . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE2' HG13 ' A' ' 39' ' ' VAL . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD23 ' CG2' ' A' ' 39' ' ' VAL . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.748 HG23 ' OD2' ' A' ' 22' ' ' ASP . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.748 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 12' ' ' LEU . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' ' HB2' ' A' ' 34' ' ' ALA . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 10' ' ' LYS . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD23 ' CG2' ' A' ' 39' ' ' VAL . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.758 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.705 ' CG2' HD23 ' A' ' 12' ' ' LEU . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.665 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 54' ' ' VAL . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.6 ' CG2' HG11 ' A' ' 39' ' ' VAL . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 39' ' ' VAL . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 30' ' ' PHE . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 4' ' ' LYS . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.481 ' HE1' HG23 ' A' ' 16' ' ' THR . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB3' HD22 ' A' ' 12' ' ' LEU . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' VAL . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.704 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 5' ' ' LEU . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 12' ' ' LEU . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.685 HG23 HG11 ' A' ' 39' ' ' VAL . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 22' ' ' ASP . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 21' ' ' VAL . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 7' ' ' ILE . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 HG23 ' A' ' 7' ' ' ILE . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.71 ' HB3' HG22 ' A' ' 49' ' ' THR . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD22 ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 15' ' ' GLU . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 HG21 ' A' ' 39' ' ' VAL . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 6' ' ' VAL . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.726 ' HB ' HD23 ' A' ' 5' ' ' LEU . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.532 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.738 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG21 HD23 ' A' ' 12' ' ' LEU . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 54' ' ' VAL . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' H2 ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 30' ' ' PHE . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.533 HG22 ' OE2' ' A' ' 15' ' ' GLU . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.602 ' HA ' HG13 ' A' ' 54' ' ' VAL . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' OE2' HG22 ' A' ' 6' ' ' VAL . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.676 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 18' ' ' THR . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' OD1' HD21 ' A' ' 12' ' ' LEU . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.639 HD11 HG12 ' A' ' 54' ' ' VAL . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LYS . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 18' ' ' THR . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.698 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' OD1' HD21 ' A' ' 12' ' ' LEU . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.639 HG12 HD11 ' A' ' 5' ' ' LEU . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 17' ' ' THR . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 54' ' ' VAL . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.502 ' H ' HD12 ' A' ' 5' ' ' LEU . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-20 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.626 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 5' ' ' LEU . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' HG22 ' A' ' 17' ' ' THR . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 30' ' ' PHE . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.548 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.578 ' HA ' HG13 ' A' ' 54' ' ' VAL . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.517 HG21 ' CD2' ' A' ' 33' ' ' TYR . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.606 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.672 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE2' HG22 ' A' ' 18' ' ' THR . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 16' ' ' THR . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 17' ' ' THR . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 30' ' ' PHE . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.564 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 39' ' ' VAL . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 5' ' ' LEU . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.673 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.747 HG23 ' HB1' ' A' ' 20' ' ' ALA . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.616 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 30' ' ' PHE . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' OD1' HD21 ' A' ' 12' ' ' LEU . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 7' ' ' ILE . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' THR . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 54' ' ' VAL . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.557 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 37' ' ' ASN . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 12' ' ' LEU . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG13 ' OG1' ' A' ' 55' ' ' THR . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' HG23 ' A' ' 54' ' ' VAL . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 5' ' ' LEU . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 30' ' ' PHE . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.696 ' CG2' HD23 ' A' ' 5' ' ' LEU . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.805 ' CD1' HD22 ' A' ' 5' ' ' LEU . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.632 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' CD1' ' A' ' 30' ' ' PHE . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.44 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CD1' HD22 ' A' ' 5' ' ' LEU . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.706 HD11 HG12 ' A' ' 54' ' ' VAL . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 4' ' ' LYS . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.664 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.565 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 5' ' ' LEU . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 16' ' ' THR . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG22 ' OE2' ' A' ' 15' ' ' GLU . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE2' HG22 ' A' ' 6' ' ' VAL . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 4' ' ' LYS . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.67 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 12' ' ' LEU . 29.2 m-20 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG13 ' HG3' ' A' ' 56' ' ' GLU . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CH2' HD11 ' A' ' 5' ' ' LEU . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 54' ' ' VAL . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.827 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' O ' HG22 ' A' ' 17' ' ' THR . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 17' ' ' THR . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 11' ' ' THR . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 10' ' ' LYS . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.607 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.931 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 43' ' ' TRP . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' OD1' HD21 ' A' ' 12' ' ' LEU . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.512 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 42' ' ' VAL . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 7' ' ' ILE . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' HA ' HG13 ' A' ' 54' ' ' VAL . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.756 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 39' ' ' VAL . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.662 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 54' ' ' VAL . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.536 ' N ' HD12 ' A' ' 5' ' ' LEU . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' HE1' ' A' ' 30' ' ' PHE . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 4' ' ' LYS . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.514 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HE1' HG23 ' A' ' 16' ' ' THR . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.744 HG13 ' HG3' ' A' ' 56' ' ' GLU . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.673 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.673 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 5' ' ' LEU . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.744 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.607 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' LYS . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' CE2' ' A' ' 33' ' ' TYR . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CE2' HG21 ' A' ' 16' ' ' THR . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 6' ' ' VAL . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' HG13 ' A' ' 54' ' ' VAL . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.751 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 6' ' ' VAL . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 5' ' ' LEU . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' HG22 ' A' ' 6' ' ' VAL . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 4' ' ' LYS . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 12' ' ' LEU . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' NE1' HG23 ' A' ' 54' ' ' VAL . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' OG1' ' A' ' 51' ' ' THR . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.542 ' OG1' HG23 ' A' ' 49' ' ' THR . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' NE1' ' A' ' 43' ' ' TRP . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 17' ' ' THR . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 30' ' ' PHE . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.562 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.711 HD23 ' CG2' ' A' ' 39' ' ' VAL . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.717 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.711 ' CG2' HD23 ' A' ' 12' ' ' LEU . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 HD11 ' A' ' 5' ' ' LEU . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 30' ' ' PHE . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG22 ' OE2' ' A' ' 15' ' ' GLU . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' OE2' HG22 ' A' ' 6' ' ' VAL . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.587 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.781 ' CD1' HD22 ' A' ' 5' ' ' LEU . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CE3' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG22 ' CE3' ' A' ' 43' ' ' TRP . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 55' ' ' THR . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD11 HG12 ' A' ' 54' ' ' VAL . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.571 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 42' ' ' VAL . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 HD11 ' A' ' 5' ' ' LEU . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD23 ' OG1' ' A' ' 16' ' ' THR . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.574 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.747 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' CD2' HG21 ' A' ' 16' ' ' THR . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' A' ' 55' ' ' THR . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' N ' HG12 ' A' ' 42' ' ' VAL . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 5' ' ' LEU . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD11 ' CG2' ' A' ' 54' ' ' VAL . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 37' ' ' ASN . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 22' ' ' ASP . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 21' ' ' VAL . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.631 ' HB3' HD21 ' A' ' 12' ' ' LEU . 21.0 m120 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.634 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG2' HD11 ' A' ' 5' ' ' LEU . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 17' ' ' THR . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 15' ' ' GLU . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 6' ' ' VAL . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' THR . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' N ' HG12 ' A' ' 42' ' ' VAL . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' A' ' 17' ' ' THR . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 HG21 ' A' ' 54' ' ' VAL . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' HG11 ' A' ' 39' ' ' VAL . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CE1' HG22 ' A' ' 18' ' ' THR . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' CG2' ' A' ' 7' ' ' ILE . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 5' ' ' LEU . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.617 HD11 ' CG2' ' A' ' 54' ' ' VAL . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 12' ' ' LEU . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.79 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.693 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.617 ' CG2' HD11 ' A' ' 5' ' ' LEU . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 16' ' ' THR . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.73 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' A' ' 18' ' ' THR . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 5' ' ' LEU . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 52' ' ' PHE . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.504 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.408 HG22 ' HD3' ' A' ' 4' ' ' LYS . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 5' ' ' LEU . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 16' ' ' THR . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 ' HB ' HG22 ' A' ' 55' ' ' THR . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' OD2' HG22 ' A' ' 49' ' ' THR . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.601 HG22 ' OD2' ' A' ' 46' ' ' ASP . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.597 ' OG1' HG23 ' A' ' 49' ' ' THR . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 5' ' ' LEU . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.599 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 39' ' ' VAL . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 5' ' ' LEU . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' A' ' 16' ' ' THR . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 8' ' ' ASN . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.739 HD22 ' CD1' ' A' ' 30' ' ' PHE . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.634 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.739 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 12' ' ' LEU . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 16' ' ' THR . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 18' ' ' THR . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 49' ' ' THR . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 17' ' ' THR . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 ' CE ' ' A' ' 4' ' ' LYS . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.612 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' HG23 ' A' ' 39' ' ' VAL . 15.0 m120 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 HG22 ' A' ' 55' ' ' THR . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.703 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.418 HG22 HG22 ' A' ' 42' ' ' VAL . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.49 HG23 HG11 ' A' ' 39' ' ' VAL . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.702 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.798 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HG23 ' A' ' 7' ' ' ILE . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 17' ' ' THR . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 7' ' ' ILE . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.427 HG22 ' OE2' ' A' ' 15' ' ' GLU . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 5' ' ' LEU . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE2' HG22 ' A' ' 6' ' ' VAL . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LYS . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.589 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.769 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.769 HG23 ' HB1' ' A' ' 20' ' ' ALA . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.677 ' OD2' HG22 ' A' ' 49' ' ' THR . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' OD2' ' A' ' 46' ' ' ASP . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 ' OG1' HG23 ' A' ' 49' ' ' THR . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' PHE . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG23 HG11 ' A' ' 39' ' ' VAL . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 30' ' ' PHE . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.781 ' HB3' HD22 ' A' ' 5' ' ' LEU . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 5' ' ' LEU . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.736 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.685 ' CG2' HG11 ' A' ' 39' ' ' VAL . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.653 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.653 ' CZ ' HG22 ' A' ' 18' ' ' THR . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 ' CG2' ' A' ' 7' ' ' ILE . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 55' ' ' THR . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' N ' HG22 ' A' ' 42' ' ' VAL . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 5' ' ' LEU . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' HG12 ' A' ' 42' ' ' VAL . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 54' ' ' VAL . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.714 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CZ ' HG22 ' A' ' 18' ' ' THR . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.584 ' CG2' HD23 ' A' ' 12' ' ' LEU . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' OD2' HG22 ' A' ' 49' ' ' THR . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 ' OG1' HG23 ' A' ' 49' ' ' THR . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HD3' HG22 ' A' ' 17' ' ' THR . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' OG1' ' A' ' 16' ' ' THR . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 39' ' ' VAL . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.649 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.697 HG22 ' HD3' ' A' ' 4' ' ' LYS . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 18' ' ' THR . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 39' ' ' VAL . 26.4 m120 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' VAL . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' N ' HG12 ' A' ' 42' ' ' VAL . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' OG1' ' A' ' 16' ' ' THR . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.505 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CZ ' ' ND2' ' A' ' 37' ' ' ASN . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.8 m-20 -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.707 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 43' ' ' TRP . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' H ' HG12 ' A' ' 42' ' ' VAL . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 30' ' ' PHE . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 53' ' ' THR . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 HG23 ' HB1' ' A' ' 20' ' ' ALA . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.797 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.812 ' HB3' HD22 ' A' ' 5' ' ' LEU . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 ' HB ' ' A' ' 55' ' ' THR . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 6' ' ' VAL . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.679 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' CG ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 30' ' ' PHE . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 37' ' ' ASN . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.128 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.128 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.732 ' HB3' HD22 ' A' ' 5' ' ' LEU . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.615 ' HB3' HD21 ' A' ' 12' ' ' LEU . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.583 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.583 ' OG1' HG23 ' A' ' 49' ' ' THR . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 17' ' ' THR . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 3' ' ' TYR . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 45' ' ' TYR . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.735 HG23 ' HB1' ' A' ' 20' ' ' ALA . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.41 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 23' ' ' ALA . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.636 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 54' ' ' VAL . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.681 HD23 ' CG2' ' A' ' 16' ' ' THR . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.681 ' CG2' HD23 ' A' ' 5' ' ' LEU . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG22 ' A' ' 18' ' ' THR . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.669 ' HB3' HG22 ' A' ' 49' ' ' THR . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.669 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 26' ' ' ALA . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 30' ' ' PHE . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.435 HG22 ' OE2' ' A' ' 15' ' ' GLU . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 39' ' ' VAL . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 6' ' ' VAL . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.499 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.715 HG23 ' OD2' ' A' ' 22' ' ' ASP . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.715 ' OD2' HG23 ' A' ' 21' ' ' VAL . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 HD23 ' A' ' 12' ' ' LEU . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 55' ' ' THR . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.67 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 42' ' ' VAL . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD ' ' A' ' 4' ' ' LYS . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.818 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' HD13 ' A' ' 5' ' ' LEU . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 HG21 ' A' ' 39' ' ' VAL . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.757 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.757 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.476 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.69 HG13 ' HG2' ' A' ' 56' ' ' GLU . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.69 ' HG2' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD22 ' HD1' ' A' ' 30' ' ' PHE . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 33' ' ' TYR . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.542 HD23 ' CG2' ' A' ' 39' ' ' VAL . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD1' HG22 ' A' ' 25' ' ' THR . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.026 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' HD1' HD22 ' A' ' 5' ' ' LEU . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.443 ' HE1' HD11 ' A' ' 7' ' ' ILE . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.542 ' CG2' HD23 ' A' ' 12' ' ' LEU . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 16' ' ' THR . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 15' ' ' GLU . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.559 HD11 ' HE1' ' A' ' 33' ' ' TYR . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 39' ' ' VAL . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' HE1' HD11 ' A' ' 7' ' ' ILE . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.565 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 55' ' ' THR . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.639 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 54' ' ' VAL . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 42' ' ' VAL . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' HG13 ' A' ' 39' ' ' VAL . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 6' ' ' VAL . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.626 ' H ' HD12 ' A' ' 5' ' ' LEU . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG21 HD23 ' A' ' 12' ' ' LEU . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 7' ' ' ILE . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 21' ' ' VAL . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.402 ' HE1' HD11 ' A' ' 7' ' ' ILE . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.686 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.686 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' HG3' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 15' ' ' GLU . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.48 HD11 ' HE2' ' A' ' 33' ' ' TYR . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HG3' HG22 ' A' ' 6' ' ' VAL . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 4' ' ' LYS . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.48 ' HE2' HD11 ' A' ' 7' ' ' ILE . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.83 HG12 HG23 ' A' ' 44' ' ' THR . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.83 HG23 HG12 ' A' ' 42' ' ' VAL . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.73 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 54' ' ' VAL . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.61 ' H ' HD12 ' A' ' 5' ' ' LEU . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 29' ' ' ALA . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 18' ' ' THR . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 50' ' ' LYS . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 5' ' ' LEU . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 39' ' ' VAL . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 5' ' ' LEU . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 19' ' ' LYS . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' THR . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.737 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CD1' HD23 ' A' ' 5' ' ' LEU . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 12' ' ' LEU . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.66 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.725 ' HB2' HD22 ' A' ' 5' ' ' LEU . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 54' ' ' VAL . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' VAL . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.566 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.547 HG21 ' HB1' ' A' ' 26' ' ' ALA . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.62 ' CG2' HD23 ' A' ' 5' ' ' LEU . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.459 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.826 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.826 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD1' HD22 ' A' ' 5' ' ' LEU . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.67 HG13 ' OE2' ' A' ' 56' ' ' GLU . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.637 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 46' ' ' ASP . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 5' ' ' LEU . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE2' HG13 ' A' ' 39' ' ' VAL . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD23 ' CG2' ' A' ' 39' ' ' VAL . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.748 HG23 ' OD2' ' A' ' 22' ' ' ASP . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.748 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 12' ' ' LEU . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' ' HB2' ' A' ' 34' ' ' ALA . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 10' ' ' LYS . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD23 ' CG2' ' A' ' 39' ' ' VAL . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.758 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.705 ' CG2' HD23 ' A' ' 12' ' ' LEU . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.665 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 54' ' ' VAL . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.6 ' CG2' HG11 ' A' ' 39' ' ' VAL . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 39' ' ' VAL . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 30' ' ' PHE . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 4' ' ' LYS . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.481 ' HE1' HG23 ' A' ' 16' ' ' THR . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB3' HD22 ' A' ' 12' ' ' LEU . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 42' ' ' VAL . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.704 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 5' ' ' LEU . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 12' ' ' LEU . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.685 HG23 HG11 ' A' ' 39' ' ' VAL . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 22' ' ' ASP . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 21' ' ' VAL . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 7' ' ' ILE . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 HG23 ' A' ' 7' ' ' ILE . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.71 ' HB3' HG22 ' A' ' 49' ' ' THR . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD22 ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 15' ' ' GLU . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 HG21 ' A' ' 39' ' ' VAL . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 6' ' ' VAL . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.726 ' HB ' HD23 ' A' ' 5' ' ' LEU . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.532 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.738 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG21 HD23 ' A' ' 12' ' ' LEU . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.429 ' H2 ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 30' ' ' PHE . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.533 HG22 ' OE2' ' A' ' 15' ' ' GLU . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.602 ' HA ' HG13 ' A' ' 54' ' ' VAL . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' OE2' HG22 ' A' ' 6' ' ' VAL . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.676 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 18' ' ' THR . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' OD1' HD21 ' A' ' 12' ' ' LEU . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.639 HD11 HG12 ' A' ' 54' ' ' VAL . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LYS . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 18' ' ' THR . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.698 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' OD1' HD21 ' A' ' 12' ' ' LEU . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.639 HG12 HD11 ' A' ' 5' ' ' LEU . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 17' ' ' THR . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 54' ' ' VAL . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.502 ' H ' HD12 ' A' ' 5' ' ' LEU . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' HD23 ' A' ' 12' ' ' LEU . 6.0 m120 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.626 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 5' ' ' LEU . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' HG22 ' A' ' 17' ' ' THR . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 30' ' ' PHE . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.548 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.578 ' HA ' HG13 ' A' ' 54' ' ' VAL . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.517 HG21 ' CD2' ' A' ' 33' ' ' TYR . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.606 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.672 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE2' HG22 ' A' ' 18' ' ' THR . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 16' ' ' THR . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 17' ' ' THR . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 30' ' ' PHE . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.564 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 39' ' ' VAL . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 5' ' ' LEU . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.673 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.747 HG23 ' HB1' ' A' ' 20' ' ' ALA . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.616 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 30' ' ' PHE . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.571 ' OD1' HD21 ' A' ' 12' ' ' LEU . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 7' ' ' ILE . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' THR . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 54' ' ' VAL . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.557 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 37' ' ' ASN . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 12' ' ' LEU . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG13 ' OG1' ' A' ' 55' ' ' THR . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' HG23 ' A' ' 54' ' ' VAL . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 5' ' ' LEU . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 30' ' ' PHE . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.696 ' CG2' HD23 ' A' ' 5' ' ' LEU . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.805 ' CD1' HD22 ' A' ' 5' ' ' LEU . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.632 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' CD1' ' A' ' 30' ' ' PHE . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.44 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CD1' HD22 ' A' ' 5' ' ' LEU . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.706 HD11 HG12 ' A' ' 54' ' ' VAL . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 4' ' ' LYS . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.664 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.565 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 5' ' ' LEU . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 16' ' ' THR . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG22 ' OE2' ' A' ' 15' ' ' GLU . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE2' HG22 ' A' ' 6' ' ' VAL . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 4' ' ' LYS . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.67 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 12' ' ' LEU . 5.4 m120 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG13 ' HG3' ' A' ' 56' ' ' GLU . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CH2' HD11 ' A' ' 5' ' ' LEU . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.827 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' O ' HG22 ' A' ' 17' ' ' THR . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 17' ' ' THR . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 11' ' ' THR . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 10' ' ' LYS . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.607 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.931 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 43' ' ' TRP . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' OD1' HD21 ' A' ' 12' ' ' LEU . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.512 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 42' ' ' VAL . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 7' ' ' ILE . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' HA ' HG13 ' A' ' 54' ' ' VAL . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.756 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 39' ' ' VAL . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.662 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 54' ' ' VAL . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.536 ' N ' HD12 ' A' ' 5' ' ' LEU . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' HE1' ' A' ' 30' ' ' PHE . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 4' ' ' LYS . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.514 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HE1' HG23 ' A' ' 16' ' ' THR . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.744 HG13 ' HG3' ' A' ' 56' ' ' GLU . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.673 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.673 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 5' ' ' LEU . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.744 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.607 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' LYS . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' CE2' ' A' ' 33' ' ' TYR . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CE2' HG21 ' A' ' 16' ' ' THR . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 6' ' ' VAL . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.559 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' HG13 ' A' ' 54' ' ' VAL . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.751 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 6' ' ' VAL . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 5' ' ' LEU . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' HG22 ' A' ' 6' ' ' VAL . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 4' ' ' LYS . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 12' ' ' LEU . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' NE1' HG23 ' A' ' 54' ' ' VAL . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' OG1' ' A' ' 51' ' ' THR . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.542 ' OG1' HG23 ' A' ' 49' ' ' THR . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' NE1' ' A' ' 43' ' ' TRP . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 17' ' ' THR . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 30' ' ' PHE . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.562 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.711 HD23 ' CG2' ' A' ' 39' ' ' VAL . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.717 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.711 ' CG2' HD23 ' A' ' 12' ' ' LEU . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 HD11 ' A' ' 5' ' ' LEU . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 30' ' ' PHE . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.672 HG22 ' OE2' ' A' ' 15' ' ' GLU . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.672 ' OE2' HG22 ' A' ' 6' ' ' VAL . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.494 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.587 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.781 ' CD1' HD22 ' A' ' 5' ' ' LEU . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CE3' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG22 ' CE3' ' A' ' 43' ' ' TRP . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 55' ' ' THR . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD11 HG12 ' A' ' 54' ' ' VAL . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.571 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 HD11 ' A' ' 5' ' ' LEU . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD23 ' OG1' ' A' ' 16' ' ' THR . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' ND2' ' A' ' 37' ' ' ASN . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.574 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.747 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.434 ' CD2' HG21 ' A' ' 16' ' ' THR . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' ND2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' A' ' 55' ' ' THR . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' N ' HG12 ' A' ' 42' ' ' VAL . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 5' ' ' LEU . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.583 HD11 ' CG2' ' A' ' 54' ' ' VAL . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 37' ' ' ASN . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.733 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 22' ' ' ASP . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 21' ' ' VAL . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.631 ' HB3' HD21 ' A' ' 12' ' ' LEU . 60.4 m-80 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.634 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG2' HD11 ' A' ' 5' ' ' LEU . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 17' ' ' THR . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 15' ' ' GLU . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 6' ' ' VAL . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' THR . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' N ' HG12 ' A' ' 42' ' ' VAL . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' A' ' 17' ' ' THR . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 HG21 ' A' ' 54' ' ' VAL . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' HG11 ' A' ' 39' ' ' VAL . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CE1' HG22 ' A' ' 18' ' ' THR . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' CG2' ' A' ' 7' ' ' ILE . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 5' ' ' LEU . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.617 HD11 ' CG2' ' A' ' 54' ' ' VAL . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 12' ' ' LEU . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.79 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.693 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.617 ' CG2' HD11 ' A' ' 5' ' ' LEU . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.504 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 16' ' ' THR . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.73 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' A' ' 18' ' ' THR . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 5' ' ' LEU . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 52' ' ' PHE . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.504 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.408 HG22 ' HD3' ' A' ' 4' ' ' LYS . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 5' ' ' LEU . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 16' ' ' THR . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 ' HB ' HG22 ' A' ' 55' ' ' THR . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' OD2' HG22 ' A' ' 49' ' ' THR . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.601 HG22 ' OD2' ' A' ' 46' ' ' ASP . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.597 ' OG1' HG23 ' A' ' 49' ' ' THR . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 5' ' ' LEU . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.599 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 39' ' ' VAL . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 5' ' ' LEU . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' A' ' 16' ' ' THR . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 8' ' ' ASN . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.739 HD22 ' CD1' ' A' ' 30' ' ' PHE . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.634 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.739 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 12' ' ' LEU . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 16' ' ' THR . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 18' ' ' THR . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 49' ' ' THR . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 17' ' ' THR . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.418 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 ' CE ' ' A' ' 4' ' ' LYS . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.612 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' HG23 ' A' ' 39' ' ' VAL . 48.7 m-80 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 HG22 ' A' ' 55' ' ' THR . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.703 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.418 HG22 HG22 ' A' ' 42' ' ' VAL . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.49 HG23 HG11 ' A' ' 39' ' ' VAL . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.702 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.798 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 55.1 m-80 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HG23 ' A' ' 7' ' ' ILE . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 17' ' ' THR . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 7' ' ' ILE . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.427 HG22 ' OE2' ' A' ' 15' ' ' GLU . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 5' ' ' LEU . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE2' HG22 ' A' ' 6' ' ' VAL . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LYS . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.589 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.769 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.769 HG23 ' HB1' ' A' ' 20' ' ' ALA . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.677 ' OD2' HG22 ' A' ' 49' ' ' THR . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' OD2' ' A' ' 46' ' ' ASP . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 ' OG1' HG23 ' A' ' 49' ' ' THR . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' PHE . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG23 HG11 ' A' ' 39' ' ' VAL . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 30' ' ' PHE . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.781 ' HB3' HD22 ' A' ' 5' ' ' LEU . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 5' ' ' LEU . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.736 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.685 ' CG2' HG11 ' A' ' 39' ' ' VAL . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.653 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.653 ' CZ ' HG22 ' A' ' 18' ' ' THR . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 ' CG2' ' A' ' 7' ' ' ILE . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 55' ' ' THR . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' N ' HG22 ' A' ' 42' ' ' VAL . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 5' ' ' LEU . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' HG12 ' A' ' 42' ' ' VAL . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 54' ' ' VAL . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.714 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CZ ' HG22 ' A' ' 18' ' ' THR . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.584 ' CG2' HD23 ' A' ' 12' ' ' LEU . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' OD2' HG22 ' A' ' 49' ' ' THR . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 ' OG1' HG23 ' A' ' 49' ' ' THR . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HD3' HG22 ' A' ' 17' ' ' THR . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' OG1' ' A' ' 16' ' ' THR . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 39' ' ' VAL . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.649 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.697 HG22 ' HD3' ' A' ' 4' ' ' LYS . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 18' ' ' THR . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.8 m-80 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' VAL . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' N ' HG12 ' A' ' 42' ' ' VAL . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' OG1' ' A' ' 16' ' ' THR . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' ND2' ' A' ' 37' ' ' ASN . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.505 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.707 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 43' ' ' TRP . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' H ' HG12 ' A' ' 42' ' ' VAL . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 30' ' ' PHE . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 53' ' ' THR . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 HG23 ' HB1' ' A' ' 20' ' ' ALA . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.797 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.812 ' HB3' HD22 ' A' ' 5' ' ' LEU . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 ' HB ' ' A' ' 55' ' ' THR . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 6' ' ' VAL . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.679 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' CG ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 30' ' ' PHE . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 37' ' ' ASN . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.128 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.128 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.732 ' HB3' HD22 ' A' ' 5' ' ' LEU . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.615 ' HB3' HD21 ' A' ' 12' ' ' LEU . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.583 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.583 ' OG1' HG23 ' A' ' 49' ' ' THR . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.729 0.3 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.93 122.67 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 17' ' ' THR . 26.7 m-85 -108.54 170.02 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -131.25 151.17 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 ' CD1' ' A' ' 30' ' ' PHE . 2.9 tp -141.6 116.35 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.85 144.5 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.0 mt -112.62 94.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.65 49.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.87 -159.39 8.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.3 -46.89 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -114.46 -52.99 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.0 tp -71.17 123.63 22.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -138.49 148.18 44.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.3 -178.1 35.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -137.32 160.74 38.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.8 t -153.85 177.49 10.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 3' ' ' TYR . 21.4 p -140.28 159.82 41.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -152.66 143.8 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.75 109.86 21.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -129.32 158.0 40.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.2 t -88.67 8.91 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -175.42 141.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 45' ' ' TYR . . . -56.46 -23.52 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.35 -57.86 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.735 HG23 ' HB1' ' A' ' 20' ' ' ALA . 13.0 t -59.82 -26.54 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.11 -45.85 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -55.67 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.72 -35.56 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.8 -23.93 48.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.4 m-85 -75.13 -25.23 58.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -1.12 33.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -54.75 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -52.08 -67.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.38 -55.23 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.29 -49.61 60.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.99 -25.33 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -101.38 0.61 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.5 69.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 18.9 t -95.25 119.04 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -126.84 141.06 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.6 -158.65 20.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.11 124.03 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.41 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 98.2 m95 -94.91 122.4 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -135.75 142.84 45.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 23' ' ' ALA . 1.7 p90 -158.72 144.77 16.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.636 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.1 t0 -111.58 131.29 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -49.23 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.88 -42.08 47.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.2 t -105.76 -172.47 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -144.32 41.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -114.81 126.21 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -113.11 144.8 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -140.12 148.97 42.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 54' ' ' VAL . 7.6 p -132.65 122.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -114.3 127.18 55.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.71 0.29 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 138.23 51.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.99 157.22 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -107.11 147.76 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.681 HD23 ' CG2' ' A' ' 16' ' ' THR . 8.2 tp -124.62 113.46 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 82.0 t -109.02 119.86 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mt -104.43 136.02 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -121.29 66.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.21 173.22 40.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -81.87 -18.91 42.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -126.16 -54.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.19 136.0 35.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -149.68 87.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.55 -174.04 13.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -143.62 158.79 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.681 ' CG2' HD23 ' A' ' 5' ' ' LEU . 13.9 t -154.0 179.51 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.1 p -143.49 165.02 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -157.09 142.64 17.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -103.09 97.41 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -118.69 148.67 42.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.02 -37.37 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.63 162.72 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.61 -45.57 63.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.02 -32.86 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 82.0 m -80.77 -31.92 35.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -30.74 56.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.98 -58.82 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -50.02 -49.73 49.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.54 -57.0 14.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG22 ' A' ' 18' ' ' THR . 10.4 m-85 -52.8 -30.79 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -70.97 -35.38 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -51.97 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -52.46 -33.64 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -64.49 -57.03 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -55.34 -38.81 69.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -49.02 -42.52 38.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -105.42 23.51 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.46 34.91 27.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 88.9 t -95.65 119.52 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -126.23 125.85 43.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.63 -157.25 8.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.32 129.25 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -90.98 129.3 37.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 p -141.13 120.49 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.02 140.27 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.669 ' HB3' HG22 ' A' ' 49' ' ' THR . 12.4 t70 -107.35 141.71 38.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -50.07 75.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.09 -38.68 25.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.669 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.9 t -108.04 -172.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -142.58 39.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -118.9 131.0 56.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.68 144.29 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -131.4 123.25 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -119.12 119.82 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.6 m -107.28 121.18 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.688 0.28 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -137.25 117.51 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 26' ' ' ALA . 2.3 m-85 -113.12 167.28 10.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.05 148.08 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 30' ' ' PHE . 4.5 tp -140.14 102.14 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.435 HG22 ' OE2' ' A' ' 15' ' ' GLU . 22.7 t -94.98 149.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.24 108.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -109.67 56.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.3 -161.58 29.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -79.68 -59.4 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.03 34.82 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 39' ' ' VAL . 19.3 tp -146.97 114.46 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 147.99 51.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.15 33.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 6' ' ' VAL . 1.5 mt-10 -135.44 161.62 34.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.499 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.0 t -160.21 168.6 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -133.98 162.9 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 t -159.61 151.61 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 139.15 43.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -159.87 150.95 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.715 HG23 ' OD2' ' A' ' 22' ' ' ASP . 18.1 m -81.98 1.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.715 ' OD2' HG23 ' A' ' 21' ' ' VAL . 2.1 p30 -173.53 147.55 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.3 55.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -51.32 -31.02 20.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.8 m -79.4 -52.12 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . . . -57.58 -46.76 83.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -50.86 -53.24 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -35.14 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.21 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CD1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -70.49 -32.18 69.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -76.11 -10.99 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -91.31 -53.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -51.59 -49.69 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -57.82 -53.54 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.63 -43.02 62.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -38.77 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -100.95 26.38 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 35.15 37.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 HD23 ' A' ' 12' ' ' LEU . 16.7 t -99.55 115.57 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -125.62 144.3 50.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.76 -153.36 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 55' ' ' THR . 10.8 p -100.75 129.3 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -95.17 123.5 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -142.32 143.21 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -162.35 148.99 13.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.67 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.3 t70 -112.73 134.73 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -51.18 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.21 -44.8 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.7 t -101.32 -168.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 42.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.8 m -112.15 131.56 55.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -120.38 136.07 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.7 m -132.53 141.61 48.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.6 p -127.84 118.73 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 42' ' ' VAL . 11.1 t -114.94 131.98 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.62 139.37 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -118.56 160.78 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -114.23 150.17 34.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 3.2 tp -140.99 109.45 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.5 143.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.2 98.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.21 46.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.34 -165.06 7.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -42.33 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.8 p -116.18 -52.72 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.66 125.25 27.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -141.06 147.11 38.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.69 -178.19 34.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -135.1 160.6 37.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -151.76 171.56 17.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD ' ' A' ' 4' ' ' LYS . 76.3 p -137.51 167.83 20.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -156.38 -173.79 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 105.98 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -135.46 153.91 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.08 3.49 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -173.25 140.42 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.3 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.818 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -56.81 -23.25 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -86.78 -27.92 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -51.63 -47.35 63.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -45.17 91.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.93 76.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.4 m-85 -74.82 -33.34 62.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mmmm -76.68 -43.3 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -48.53 -53.33 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.93 -31.93 42.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -61.61 -55.68 28.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.38 -38.34 80.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -49.09 -41.1 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -107.25 23.87 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.4 51.51 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -110.88 118.56 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -119.93 157.07 29.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -156.3 28.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.9 m -103.53 129.4 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' HD13 ' A' ' 5' ' ' LEU . 81.6 m95 -104.29 124.79 49.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -129.37 125.16 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.88 136.01 54.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -113.59 150.35 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.35 -62.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -92.16 176.56 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 40.26 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 m -111.88 106.45 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.29 144.79 30.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -134.42 146.73 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.1 p -125.76 120.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -115.22 130.15 56.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.69 141.17 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -114.24 164.84 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -122.72 152.7 40.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -141.27 111.29 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.74 145.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.93 97.23 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.93 46.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.76 -158.63 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -89.52 -48.15 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -112.39 -53.06 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD23 HG21 ' A' ' 39' ' ' VAL . 24.2 tp -71.26 122.72 20.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.53 146.84 40.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -177.19 34.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -136.61 160.28 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 t -151.79 176.43 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 p -143.18 168.84 18.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -155.98 -172.82 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -147.78 105.95 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.07 158.55 44.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.757 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.4 m -83.04 3.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.757 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -178.64 149.69 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.23 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -67.61 -35.33 78.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.476 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.5 m -84.38 -34.37 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.847 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.41 -32.61 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -51.71 -56.91 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -50.13 -46.41 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.7 71.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.3 m-85 -81.75 -28.88 33.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -76.18 -42.61 45.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.88 -52.71 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -50.77 -39.76 53.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.4 -62.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -49.27 -46.6 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -51.26 -30.16 16.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -114.86 31.45 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.06 -162.55 39.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.69 HG13 ' HG2' ' A' ' 56' ' ' GLU . 15.0 t 67.77 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.72 112.55 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.7 -139.07 4.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.53 128.57 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -93.2 124.07 36.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -131.53 120.4 22.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 134.9 53.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.63 153.83 27.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -56.63 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -92.32 167.89 11.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 38.87 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -110.25 105.36 14.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -101.41 147.11 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.5 m -135.43 140.57 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.84 136.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.2 p -111.47 -170.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.69 ' HG2' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -153.13 117.73 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -123.33 170.41 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 151.99 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD22 ' HD1' ' A' ' 30' ' ' PHE . 16.1 tp -139.6 104.84 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -95.85 144.49 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 33' ' ' TYR . 89.1 mt -113.19 96.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.48 61.56 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.7 -167.0 42.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -89.73 -42.4 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 p -113.7 -52.59 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD23 ' CG2' ' A' ' 39' ' ' VAL . 24.6 tp -79.34 121.7 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -138.76 147.23 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.71 -173.82 37.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -129.13 161.1 30.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -152.14 170.56 19.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 p -146.55 167.25 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -158.68 -173.17 4.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -147.14 106.58 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -133.54 149.63 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.72 -35.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD1' HG22 ' A' ' 25' ' ' THR . 54.2 p-10 -157.94 166.55 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -52.44 -27.81 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -55.56 -57.17 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.026 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -82.0 -24.33 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.08 -40.55 78.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.97 -52.61 63.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -49.25 -46.05 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.85 83.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' HD1' HD22 ' A' ' 5' ' ' LEU . 13.7 m-85 -74.61 -30.29 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.6 mmtp -77.18 -43.24 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.81 -58.07 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.443 ' HE1' HD11 ' A' ' 7' ' ' ILE . 36.3 t80 -52.6 -28.6 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.02 -53.33 57.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.91 -37.22 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -48.31 -41.51 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 39' ' ' VAL . 17.3 m120 -109.11 26.14 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.63 38.11 14.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.542 ' CG2' HD23 ' A' ' 12' ' ' LEU . 56.4 t -94.77 115.82 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -125.34 147.06 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.01 -155.64 16.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.79 130.58 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -96.27 112.25 24.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -130.86 116.71 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.63 145.29 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 16.9 t70 -106.01 152.92 22.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -51.48 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.18 -45.22 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 11.3 t -101.58 -179.3 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.03 40.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -113.46 127.59 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.86 121.79 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 m -115.9 126.72 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.2 p -113.98 121.16 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -111.21 126.97 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 66.81 136.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.03 165.02 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -119.9 151.12 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 16' ' ' THR . 4.6 tp -135.84 121.36 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 15' ' ' GLU . 58.3 t -108.06 144.58 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.559 HD11 ' HE1' ' A' ' 33' ' ' TYR . 56.7 mt -108.79 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.63 59.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.45 -160.27 32.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -81.69 -57.1 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 34.45 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD23 ' CG2' ' A' ' 39' ' ' VAL . 19.6 tp -147.7 114.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -127.4 146.97 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.51 -178.17 47.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CG ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -150.66 149.79 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -152.57 -176.8 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -148.75 167.35 25.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 1.8 t -156.7 150.54 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 102.66 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.19 152.34 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -86.78 6.93 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -174.89 145.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.17 -31.88 9.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -68.58 -47.15 67.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 62.5 m -62.06 -36.55 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.097 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.719 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -79.89 -22.68 42.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -57.19 -62.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -49.51 -48.31 48.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.7 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 3.4 m-85 -76.36 -29.81 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.7 mtmt -80.77 -42.24 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.05 -49.55 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' HE1' HD11 ' A' ' 7' ' ' ILE . 51.2 t80 -60.46 -21.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.56 -60.0 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -32.39 62.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -48.44 -44.68 35.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -108.02 29.4 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.38 35.0 34.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.565 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -97.62 111.11 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 120.37 22.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.02 -150.57 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 55' ' ' THR . 26.9 m -98.32 127.22 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -92.48 118.33 30.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 p -134.68 128.27 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.72 142.73 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.639 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.3 t70 -107.23 140.65 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.09 -50.05 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.27 -41.22 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.639 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.0 t -102.73 -178.16 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 34.92 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.4 m -112.4 122.44 47.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.77 139.69 40.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.5 m -130.4 147.98 52.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 54' ' ' VAL . 4.1 p -136.05 116.52 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 42' ' ' VAL . 1.9 t -114.9 121.54 43.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' HG13 ' A' ' 39' ' ' VAL . 1.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -112.56 129.46 56.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 6.0 m-85 -115.87 160.32 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 142.47 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 6' ' ' VAL . 14.8 tp -128.21 144.44 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.626 ' H ' HD12 ' A' ' 5' ' ' LEU . 88.8 t -123.44 142.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG21 HD23 ' A' ' 12' ' ' LEU . 30.2 mt -112.92 92.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -94.86 60.82 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.73 -167.85 41.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -86.41 -42.45 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 27.75 8.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.191 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 7' ' ' ILE . 4.8 tp -150.89 127.62 10.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 101.39 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.03 -175.16 34.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -144.32 155.29 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -143.41 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -141.46 168.45 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.7 t -156.24 -177.13 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -146.91 104.81 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -130.44 158.6 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 21' ' ' VAL . 9.9 p -87.5 8.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -175.96 144.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.73 -35.59 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -67.53 -45.77 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.5 m -63.56 -34.51 77.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -78.54 -31.07 47.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -50.73 -57.34 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -51.66 -48.45 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.04 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.6 m-85 -70.83 -31.68 68.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.5 mmmt -77.04 -42.6 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.54 -55.16 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' HE1' HD11 ' A' ' 7' ' ' ILE . 44.5 t80 -51.7 -30.27 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -63.25 -54.5 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -54.83 -38.78 67.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -48.87 -41.11 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -108.24 23.08 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.07 37.6 30.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 28.2 t -96.92 111.87 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.17 145.58 49.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.59 -154.49 12.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -95.05 119.24 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -88.77 119.96 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 p -135.32 141.87 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -161.19 144.37 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.686 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.2 t0 -111.01 124.88 53.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.08 -46.56 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.686 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.04 -42.86 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 46' ' ' ASP . 13.3 t -108.02 -172.97 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 40.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 3.2 t -110.34 110.62 21.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -100.74 143.95 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -138.85 145.9 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.1 p -129.97 119.27 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.72 118.43 36.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.695 0.283 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.18 124.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.6 m-85 -125.94 140.91 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' HG3' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -113.29 138.86 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.2 tp -122.74 124.26 42.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' HG3' ' A' ' 15' ' ' GLU . 96.6 t -102.97 144.05 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.48 HD11 ' HE2' ' A' ' 33' ' ' TYR . 10.0 mt -106.76 112.15 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -107.54 51.64 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.44 -169.73 29.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -79.93 -47.59 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.28 34.21 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.35 118.86 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -137.39 146.84 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.59 173.69 35.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' HG3' HG22 ' A' ' 6' ' ' VAL . 10.0 mp0 -121.97 143.15 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -135.04 95.98 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 4' ' ' LYS . 4.9 p -92.88 152.98 19.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.1 t -161.69 -175.84 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -119.49 146.79 45.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.76 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -161.35 155.44 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.2 m -92.03 4.21 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -176.32 136.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.92 -36.4 27.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.89 -45.62 64.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.6 m -59.56 -29.99 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -89.16 -22.51 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -51.1 -52.9 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -23.29 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -78.9 -40.25 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -68.39 -36.82 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -13.51 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -88.72 -45.07 10.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.48 ' HE2' HD11 ' A' ' 7' ' ' ILE . 64.7 t80 -61.0 -55.64 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -58.61 -54.53 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -54.75 -26.65 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -33.79 70.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -103.13 36.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.97 37.44 22.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -103.05 120.74 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 120.11 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.2 -143.5 3.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.83 HG12 HG23 ' A' ' 44' ' ' THR . 95.9 t -100.92 127.99 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -94.37 73.09 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.83 HG23 HG12 ' A' ' 42' ' ' VAL . 18.5 p -93.55 127.35 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.39 154.31 42.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.1 t70 -113.66 146.43 39.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -52.23 59.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.39 -49.04 46.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.1 t -98.86 -168.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.15 46.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -116.63 108.32 15.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.8 m-85 -93.78 118.62 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.9 m -108.23 116.7 32.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.6 p -109.11 110.41 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.1 m -107.71 127.35 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.94 119.58 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -107.42 163.22 13.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 149.83 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -140.29 107.64 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -94.63 145.06 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.19 99.51 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.92 48.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.5 -170.25 19.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -84.31 -38.62 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.8 p -118.52 -53.16 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 20.3 tp -74.86 126.1 30.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -141.78 147.78 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.73 -174.8 35.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.56 162.94 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -154.93 173.07 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -138.21 169.65 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -155.85 -173.88 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -145.73 104.49 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -131.33 162.08 30.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' OD2' ' A' ' 22' ' ' ASP . 16.5 m -81.67 1.57 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.73 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -177.11 155.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.82 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -69.71 -59.01 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 51.6 m -56.1 -30.05 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.96 -45.38 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.2 -53.37 51.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -36.93 49.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.43 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.3 -23.92 57.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -6.48 47.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.84 -48.48 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -52.58 -63.57 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.23 -53.96 18.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -53.33 -47.04 69.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.57 -26.01 54.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -105.47 19.33 20.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.54 38.3 80.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 4.4 t -105.51 118.33 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -127.56 145.17 50.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.71 -153.93 11.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -98.89 119.97 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -87.56 126.17 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -147.76 155.28 41.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -170.11 155.29 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.657 ' HB3' HG22 ' A' ' 49' ' ' THR . 4.4 t0 -118.58 132.48 56.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -48.47 62.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.28 -44.14 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -101.84 -170.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 38.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.9 m -116.39 130.09 56.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -117.78 142.28 47.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -133.04 141.45 48.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 7.1 p -125.88 124.5 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -118.55 131.23 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.725 0.297 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.75 138.26 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -115.53 136.52 52.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -102.61 148.63 25.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 54' ' ' VAL . 13.8 tp -127.09 146.4 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.61 ' H ' HD12 ' A' ' 5' ' ' LEU . 90.2 t -118.45 144.16 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -110.83 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.3 59.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.47 -161.35 36.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -56.22 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.52 36.49 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.43 118.46 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.35 147.63 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.39 178.11 35.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.87 161.53 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -153.92 175.17 13.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 p -133.6 163.82 28.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 29' ' ' ALA . 4.3 m -154.41 146.82 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.1 107.19 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -134.74 156.5 48.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.5 8.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -174.38 142.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.07 52.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -64.53 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 52.1 m -74.92 -51.29 14.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.97 -26.39 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -58.72 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -39.47 40.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 18' ' ' THR . . . -59.64 -49.15 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.9 -39.11 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.2 mmtt -64.81 -45.79 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -55.27 -50.46 69.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.93 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.58 -54.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.1 -34.29 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -49.13 -40.08 31.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -109.23 26.08 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.81 40.16 41.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.5 113.47 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -135.95 146.94 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.04 -139.95 5.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 p -98.95 132.37 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -101.28 150.81 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -155.53 125.23 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.94 131.16 42.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -108.56 153.32 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -59.98 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 50' ' ' LYS . 3.6 m -90.8 161.0 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -127.94 38.38 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -117.26 106.08 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -99.81 155.72 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.6 m -132.39 135.02 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 5' ' ' LEU . 84.0 t -118.12 119.18 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 p -111.78 170.72 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -127.45 117.17 21.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -110.4 164.35 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -117.73 147.92 42.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -134.06 103.45 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.39 139.96 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.9 102.29 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.68 54.3 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.68 -157.74 19.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -82.81 -58.37 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.11 37.84 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 39' ' ' VAL . 19.1 tp -147.65 116.81 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.66 145.26 51.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.19 173.21 34.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -138.3 161.23 37.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 5' ' ' LEU . 12.0 t -155.81 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -139.87 169.91 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 19' ' ' LYS . 2.1 m -160.77 164.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' H ' HG22 ' A' ' 18' ' ' THR . 35.5 mtpt -132.13 107.0 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.952 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.737 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.01 161.79 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.3 t -82.41 1.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 179.91 150.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -35.78 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -67.08 -36.01 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -75.02 -32.77 61.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.71 -20.61 30.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.91 -59.47 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.85 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.62 -32.84 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CD1' HD23 ' A' ' 5' ' ' LEU . 13.5 m-85 -81.18 -30.16 34.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -42.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.66 -51.47 69.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.44 -38.62 54.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -61.76 -51.66 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -54.66 -39.05 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -49.67 -41.31 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.67 25.09 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.94 40.14 34.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 12' ' ' LEU . 55.6 t -98.75 113.78 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.38 119.6 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.24 -152.48 6.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -99.71 126.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -90.76 117.89 29.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.6 p -135.01 138.12 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.51 147.81 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.66 ' HB3' HG22 ' A' ' 49' ' ' THR . 3.4 t0 -112.31 132.21 55.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -48.28 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.13 -45.01 61.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.2 t -101.07 -173.66 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.75 37.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.64 133.73 52.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.725 ' HB2' HD22 ' A' ' 5' ' ' LEU . 9.6 m-85 -123.9 137.83 54.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 m -133.37 147.59 51.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 54' ' ' VAL . 4.2 p -132.23 115.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.06 126.29 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -114.74 130.31 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -118.37 143.33 46.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.75 137.06 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' VAL . 16.0 tp -127.56 147.34 50.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.566 ' H ' HD12 ' A' ' 5' ' ' LEU . 59.6 t -126.34 146.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -112.3 109.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.63 65.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.2 -174.38 48.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -80.66 -43.72 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.44 29.55 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -153.15 117.99 5.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.0 mttt -131.43 150.62 52.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.4 170.27 29.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -132.48 158.83 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -148.37 167.0 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.4 p -127.7 166.6 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.547 HG21 ' HB1' ' A' ' 26' ' ' ALA . 9.1 t -154.86 -177.81 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -147.25 104.62 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -133.46 155.08 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.74 1.52 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.37 144.33 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.92 -44.98 60.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -64.44 -28.15 69.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 88.2 m -70.73 -51.87 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.4 -19.74 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -42.6 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.9 92.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -72.25 -35.35 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -75.22 -41.55 57.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.46 -56.58 12.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -56.67 -26.64 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.43 -44.93 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -63.36 -35.4 80.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -49.37 -37.4 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -112.5 25.77 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.9 45.43 13.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -100.81 107.97 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -125.4 128.55 48.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.87 -145.95 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.2 p -101.07 120.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -92.02 128.09 37.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -135.26 117.55 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.28 140.95 52.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.24 154.14 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -59.0 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.18 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.1 t -89.95 163.86 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -112.02 93.72 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -92.12 151.57 20.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 m -137.91 139.99 40.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.4 p -120.22 120.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.53 112.37 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.75 0.31 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -110.9 129.43 55.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.3 150.86 27.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.34 99.24 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.7 tp -100.39 126.58 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -113.36 143.98 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.24 112.44 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.21 72.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.66 -176.17 49.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -59.03 -63.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.52 19.59 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tp -134.98 109.68 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.26 138.55 54.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.28 -170.5 36.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -147.64 165.61 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.62 ' CG2' HD23 ' A' ' 5' ' ' LEU . 12.5 t -170.02 177.38 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -147.53 172.39 14.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.459 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.1 t -157.29 -171.99 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -147.07 106.43 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.826 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -131.8 157.73 43.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.5 t -86.47 6.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' HG22 ' A' ' 25' ' ' THR . 36.2 t0 -175.27 140.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.92 -29.44 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -68.09 -61.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.826 HG23 ' HB1' ' A' ' 20' ' ' ALA . 8.9 t -56.0 -23.98 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.3 -27.04 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.3 -56.08 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -50.88 -46.15 60.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.03 84.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD1' HD22 ' A' ' 5' ' ' LEU . 8.7 m-85 -75.13 -32.39 61.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -74.58 -43.64 54.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.46 -55.0 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -53.38 -31.45 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -59.25 -53.94 52.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.06 -36.97 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -49.94 -37.15 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -111.19 23.7 13.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.26 50.45 28.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.67 HG13 ' OE2' ' A' ' 56' ' ' GLU . 18.1 t -107.78 119.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -128.03 115.58 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.33 -155.23 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -106.66 130.36 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -94.94 130.36 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -140.4 116.31 10.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -136.61 139.6 42.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.637 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.2 t0 -109.62 132.48 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -49.35 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.32 -44.95 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 46' ' ' ASP . 9.3 t -102.24 -173.79 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.5 35.81 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -109.2 137.34 47.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 5' ' ' LEU . 9.7 m-85 -122.23 133.06 54.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 m -125.71 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.6 p -129.52 118.37 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -118.25 128.71 54.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE2' HG13 ' A' ' 39' ' ' VAL . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -123.98 118.01 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -108.81 161.15 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 151.2 38.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -141.14 110.92 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.51 144.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -112.59 100.47 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.47 48.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.22 -167.12 16.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -42.67 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -117.29 -52.07 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD23 ' CG2' ' A' ' 39' ' ' VAL . 21.7 tp -74.02 122.13 22.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -139.1 148.18 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.78 -177.12 34.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.43 164.24 27.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -154.68 178.07 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 p -145.8 168.89 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.8 t -159.35 -171.14 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -148.04 110.51 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.96 157.01 47.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.748 HG23 ' OD2' ' A' ' 22' ' ' ASP . 17.2 m -82.7 2.88 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.748 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -174.93 152.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -50.93 -27.95 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.3 -58.08 5.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 67.7 m -58.28 -34.5 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.84 -30.18 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.95 -61.48 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.16 -45.18 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.15 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.4 m-85 -77.79 -28.91 50.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.9 mtmt -79.67 -41.89 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -50.98 -58.18 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -51.83 -30.18 22.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -62.53 -50.69 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.042 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.27 -37.52 85.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.28 -39.31 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -106.65 22.81 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.06 51.99 23.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 12' ' ' LEU . 14.9 t -110.22 121.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.73 154.71 37.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.95 -155.64 26.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -101.76 129.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' ' HB2' ' A' ' 34' ' ' ALA . 81.5 m95 -100.1 121.03 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -127.28 140.66 52.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.79 132.07 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.84 153.84 24.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -58.46 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.77 -64.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -90.4 172.6 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 39.67 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -108.69 109.48 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.77 145.73 29.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.7 m -134.85 141.17 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.3 p -124.35 120.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -116.85 134.38 54.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.6 140.46 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.71 173.64 6.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -131.61 151.66 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.4 tp -141.2 119.5 12.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.56 143.59 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.06 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -102.9 52.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.64 -158.55 18.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -83.71 -53.6 5.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 10' ' ' LYS . 70.1 p -110.33 -54.07 2.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD23 ' CG2' ' A' ' 39' ' ' VAL . 15.1 tp -69.8 115.25 8.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -136.52 145.99 45.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.45 -176.34 37.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.69 162.27 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.0 t -156.23 173.17 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 p -131.5 157.11 44.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.88 140.89 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 146.9 28.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -169.47 159.41 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -84.16 3.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.758 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -178.56 148.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.28 -20.86 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -70.37 -67.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.617 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -54.97 -25.24 28.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.94 -41.0 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -52.88 -48.32 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -37.53 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.41 -27.48 61.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.6 m-85 -75.62 -28.11 58.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 0.81 37.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -96.68 -52.15 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -53.14 -67.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -47.25 -55.04 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.7 -55.1 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.43 -22.38 54.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -94.82 -5.94 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.98 43.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.705 ' CG2' HD23 ' A' ' 12' ' ' LEU . 66.6 t -76.54 126.32 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.27 119.33 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.0 -134.71 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.58 130.43 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 99.2 m95 -103.44 120.46 40.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -133.98 148.92 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -164.12 147.59 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 2.2 t70 -112.82 128.95 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.5 -49.12 47.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.665 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.03 -42.14 60.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -106.09 -166.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.8 43.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -114.19 108.47 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -96.92 146.59 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -143.91 153.6 42.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.43 125.75 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -114.0 125.51 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.47 131.99 29.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -109.86 167.15 10.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.6 tttp -133.77 155.03 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 54' ' ' VAL . 14.7 tp -134.25 125.51 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.9 t -110.53 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.6 ' CG2' HG11 ' A' ' 39' ' ' VAL . 58.2 mt -79.48 100.87 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -105.16 64.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.84 -163.94 36.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -86.32 -35.62 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -110.43 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 39' ' ' VAL . 21.1 tp -79.46 127.03 31.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -141.78 86.15 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.7 -177.94 19.94 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -138.76 158.39 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 30' ' ' PHE . 13.2 t -153.91 -179.8 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 4' ' ' LYS . 23.5 p -136.25 160.3 39.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.6 m -155.02 136.41 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -101.63 104.83 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -128.11 149.0 50.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG23 ' OD2' ' A' ' 22' ' ' ASP . 15.8 m -73.64 -7.72 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -170.64 150.61 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.76 -38.52 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.84 -33.74 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 18.7 m -79.18 -55.23 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.98 -26.01 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -58.28 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -48.88 52.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -57.7 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.481 ' HE1' HG23 ' A' ' 16' ' ' THR . 8.0 m-85 -51.88 -34.3 40.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.39 -34.49 78.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -49.06 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -53.67 -43.77 69.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.03 -59.4 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -51.91 -47.72 64.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -38.09 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB3' HD22 ' A' ' 12' ' ' LEU . 41.2 m-80 -93.2 14.89 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.64 17.97 43.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 98.1 t -95.3 113.25 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.65 161.74 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.91 -145.18 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 42' ' ' VAL . 19.7 m -99.31 119.15 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -88.49 138.36 31.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -149.23 154.34 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.2 p90 -168.54 147.73 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.704 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 t0 -116.99 124.74 50.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -47.14 -44.31 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.704 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.81 -41.61 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 46' ' ' ASP . 12.8 t -109.23 -175.28 2.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.33 37.08 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -122.67 128.63 50.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -115.53 162.47 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 m -136.92 123.24 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 5' ' ' LEU . 74.4 t -113.58 110.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 t -105.84 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.723 0.297 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.9 130.09 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -114.39 169.63 8.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.01 151.33 47.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.06 114.3 8.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.52 141.79 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.47 90.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.58 54.84 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.36 -160.49 31.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -51.78 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 32.45 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 12' ' ' LEU . 2.7 tp -149.74 125.85 10.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.04 99.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.2 -178.73 34.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -142.41 158.51 43.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.945 0.403 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -149.52 -179.58 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 p -145.78 166.47 25.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -155.31 -174.49 5.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 106.4 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -129.66 160.01 34.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.2 t -88.06 2.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -179.48 152.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.36 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.48 -36.01 31.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -85.44 -52.05 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -53.72 -58.33 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -52.86 -29.05 25.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.69 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.2 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.02 -29.34 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -66.61 -12.85 59.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -45.05 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -62.08 -56.61 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -56.93 -52.85 63.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.09 -25.71 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -32.86 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -104.63 32.09 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.22 40.92 22.55 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.3 t -101.0 112.68 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.66 114.15 16.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.89 -153.18 6.14 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.91 130.29 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -96.63 123.63 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -138.56 131.87 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -151.24 143.44 24.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' HB3' HG22 ' A' ' 49' ' ' THR . 8.7 t70 -108.42 145.54 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -51.66 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.34 -42.4 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.688 HG22 ' HB3' ' A' ' 46' ' ' ASP . 6.6 t -104.11 -170.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 40.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -113.78 117.92 32.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -102.31 140.15 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.2 m -131.28 143.5 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.0 p -130.8 108.27 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -108.46 129.4 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.72 0.295 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -116.28 130.77 56.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -116.69 149.86 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -113.55 147.08 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 19.5 tp -129.71 147.28 51.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.6 t -131.69 135.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.685 HG23 HG11 ' A' ' 39' ' ' VAL . 3.0 mt -106.33 113.84 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.92 61.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 178.13 47.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -79.81 -19.45 48.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.2 p -125.35 -52.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -81.94 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.04 98.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.72 -170.64 20.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.56 153.49 41.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -140.83 177.3 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.25 169.34 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.1 t -158.51 178.84 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -143.2 115.55 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.99 157.02 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 22' ' ' ASP . 33.0 m -89.73 11.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 21' ' ' VAL . 6.4 p-10 -172.45 143.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -31.71 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.1 -57.43 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.9 m -54.63 -36.45 64.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -77.23 -37.77 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -24.25 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -37.55 56.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.69 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG22 ' A' ' 18' ' ' THR . 14.2 m-85 -75.07 -29.93 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -10.87 59.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -51.07 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 7' ' ' ILE . 11.3 t80 -51.88 -56.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.14 -58.12 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.8 -40.51 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.92 37.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -108.68 25.46 11.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.13 37.84 59.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 HG23 ' A' ' 7' ' ' ILE . 15.5 t -102.08 111.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.355 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -124.61 125.41 44.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.79 -151.6 5.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.94 122.41 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -88.04 119.87 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -137.22 117.38 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 144.79 46.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.71 ' HB3' HG22 ' A' ' 49' ' ' THR . 10.6 t70 -107.99 148.41 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -51.12 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.53 -43.78 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 46' ' ' ASP . 7.1 t -103.85 -173.47 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -144.81 43.32 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 3.1 t -118.82 110.02 16.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.6 m-85 -90.62 115.29 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -106.44 118.92 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -111.07 121.76 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -108.63 116.14 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.661 0.267 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.63 129.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 29.0 m-85 -126.12 150.82 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.63 92.13 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD22 ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -95.95 115.06 26.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 15' ' ' GLU . 22.0 t -112.82 150.41 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -113.76 104.25 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -96.84 52.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.35 -171.51 43.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -85.1 -28.54 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -117.96 -53.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 HG21 ' A' ' 39' ' ' VAL . 16.1 tp -74.96 133.82 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 96.48 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.63 -174.36 25.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 6' ' ' VAL . 13.2 mt-10 -124.06 132.02 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.726 ' HB ' HD23 ' A' ' 5' ' ' LEU . 96.8 m -123.53 94.45 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -90.03 148.97 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -160.9 179.08 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.73 158.71 25.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -174.87 142.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.18 -43.35 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -149.88 165.94 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.63 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.96 -27.75 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.8 m -81.64 -55.45 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.532 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.17 -35.78 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -47.92 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.738 ' CD1' HD22 ' A' ' 5' ' ' LEU . 7.7 m-85 -72.15 -34.55 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.38 -7.1 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -48.46 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -54.37 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -46.46 -54.13 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.42 -50.61 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.96 -23.85 55.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -101.78 1.98 37.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.6 33.06 63.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG21 HD23 ' A' ' 12' ' ' LEU . 34.6 t -107.9 115.6 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.18 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -124.71 145.46 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.61 7.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.528 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.77 121.5 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -86.45 126.51 34.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -147.64 149.82 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -171.61 152.89 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.664 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.3 t70 -113.56 142.32 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -52.07 -42.0 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 46' ' ' ASP . 8.7 t -103.26 -175.28 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 35.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -107.77 137.64 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -125.12 138.51 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -131.77 141.28 49.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -130.37 119.57 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -115.12 132.6 56.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' H2 ' ' HE2' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.682 0.277 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.48 129.35 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.26 150.53 20.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -109.71 134.41 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 30' ' ' PHE . 49.5 tp -128.41 144.35 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.533 HG22 ' OE2' ' A' ' 15' ' ' GLU . 96.2 t -132.55 113.7 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.602 ' HA ' HG13 ' A' ' 54' ' ' VAL . 13.8 mt -92.78 114.92 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -120.12 64.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.82 139.77 19.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.7 -26.99 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 p -113.07 -47.07 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -105.92 123.99 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.24 135.45 47.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.27 -162.72 28.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' OE2' HG22 ' A' ' 6' ' ' VAL . 3.8 tt0 -149.08 167.22 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -175.89 163.2 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 p -139.61 169.13 18.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.676 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.21 -177.76 6.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -142.07 125.3 16.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.06 145.9 29.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -50.0 -32.25 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -150.15 -179.07 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.12 -46.29 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -51.36 -38.12 51.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 m -73.49 -31.11 63.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.95 -25.8 43.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.57 73.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -69.38 -51.12 39.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.03 -49.22 71.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 18' ' ' THR . 4.7 m-85 -56.91 -46.63 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mmmp? -64.46 -38.55 91.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -50.9 -47.99 60.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -62.17 -24.24 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.93 -49.75 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.78 -50.15 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -55.59 -31.97 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' OD1' HD21 ' A' ' 12' ' ' LEU . 33.7 m-80 -96.34 3.3 53.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.7 19.24 41.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 77.7 t -105.4 105.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -134.83 162.93 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.3 -124.33 1.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.4 t -101.55 120.53 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -106.25 159.59 16.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -139.07 153.85 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -138.56 126.21 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -128.7 91.03 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.98 -30.26 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.33 -40.14 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.8 p -135.81 26.23 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER 31.68 48.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.7 m -121.29 126.91 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -107.72 161.64 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.92 116.64 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -109.63 126.65 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -116.28 -172.61 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.41 121.77 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -96.98 136.18 37.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -114.97 143.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.639 HD11 HG12 ' A' ' 54' ' ' VAL . 21.8 tp -135.45 149.98 49.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.5 t -130.32 112.47 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -88.41 105.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -110.26 66.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 139.62 17.69 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -50.61 -28.95 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -115.37 -42.37 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LYS . 4.8 tp -108.37 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 11.5 mttt -125.49 138.23 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -165.91 32.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -147.85 167.68 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -175.4 167.3 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -134.32 163.24 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -151.86 164.29 37.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 18' ' ' THR . 5.2 mtpm? -133.94 129.33 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -155.04 148.95 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.6 m -52.51 -28.83 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -145.33 167.71 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.33 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.87 -58.49 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.698 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 10.9 t -54.63 -28.23 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.29 -29.58 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.61 -32.77 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -40.29 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.7 m-85 -83.64 -45.85 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -58.16 -46.73 85.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.42 -47.63 56.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -55.59 -30.85 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.36 -52.54 15.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -60.26 -51.46 69.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.68 -36.67 62.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' OD1' HD21 ' A' ' 12' ' ' LEU . 8.0 m-80 -86.13 -12.11 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.1 11.93 83.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 71.0 t -102.46 112.43 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.88 162.19 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -126.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.71 123.57 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.7 m95 -107.72 147.48 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -138.05 164.24 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -150.28 133.68 16.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.65 91.39 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.21 -31.01 12.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.14 -37.58 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.1 p -137.4 26.93 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER 32.42 47.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -118.99 118.08 30.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -96.27 167.65 11.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.54 129.46 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.639 HG12 HD11 ' A' ' 5' ' ' LEU . 5.7 p -123.92 127.09 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 -173.83 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.753 0.311 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -114.55 130.27 56.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 17' ' ' THR . 49.4 m-85 -97.75 156.16 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.2 ttmm -126.82 139.2 53.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 54' ' ' VAL . 50.4 tp -131.94 150.21 52.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.502 ' H ' HD12 ' A' ' 5' ' ' LEU . 94.5 t -129.94 108.44 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.6 mt -88.6 111.08 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.68 66.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.44 143.68 23.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -53.16 -26.47 17.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 p -117.61 -44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -105.61 120.65 42.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mttt -127.45 131.22 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.59 -169.34 31.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -153.88 141.57 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -147.34 175.73 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -139.88 167.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -151.71 174.74 13.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -140.17 101.23 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -123.89 144.77 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -50.09 -32.29 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -178.92 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -69.46 -52.26 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.1 m -57.19 -23.6 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -87.84 -33.68 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -57.94 -22.48 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -43.1 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.36 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -51.02 -43.23 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 mmtm -57.37 -35.2 69.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -50.96 -52.32 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.61 -23.11 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -71.81 -55.91 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -65.55 -46.35 79.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -38.36 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' HD23 ' A' ' 12' ' ' LEU . 6.0 m120 -93.81 -9.87 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.39 9.69 86.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.48 107.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -133.45 163.39 29.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.06 -132.27 2.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -98.25 117.45 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m95 -102.15 149.79 23.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.5 p -131.85 153.96 49.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -137.04 126.02 24.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.626 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 t70 -125.22 92.41 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -51.0 -29.64 12.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -50.77 -40.06 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -129.19 24.18 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER 31.56 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -129.4 139.59 51.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.13 171.4 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -143.16 120.62 11.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 5' ' ' LEU . 2.8 p -110.81 129.91 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -171.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 128.02 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.52 ' O ' HG22 ' A' ' 17' ' ' THR . 94.8 m-85 -106.35 145.22 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -115.96 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 30' ' ' PHE . 42.7 tp -122.24 147.24 46.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.548 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -131.64 103.98 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.578 ' HA ' HG13 ' A' ' 54' ' ' VAL . 65.3 mt -89.13 109.05 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -117.16 66.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.45 141.11 17.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -29.09 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -114.3 -46.05 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 13' ' ' LYS . 8.3 tp -103.61 119.04 38.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 2.3 mtmt -128.5 137.36 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.26 -167.76 35.47 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.27 146.61 21.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.398 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.517 HG21 ' CD2' ' A' ' 33' ' ' TYR . 10.1 t -158.72 169.19 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.9 p -135.39 163.36 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.606 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.8 t -156.79 147.25 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 136.64 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.9 147.03 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.057 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -51.82 -35.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.26 -172.35 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.06 -48.5 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -29.25 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.672 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 91.7 m -79.59 -52.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.7 -47.72 84.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -52.5 -28.67 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -78.03 -38.42 44.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.33 -48.27 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE2' HG22 ' A' ' 18' ' ' THR . 2.3 m-85 -55.89 -43.63 77.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -30.37 40.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -70.34 -57.33 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CD2' HG21 ' A' ' 16' ' ' THR . 48.2 t80 -50.32 -33.86 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.92 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.69 -55.49 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.76 -31.9 59.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.83 20.64 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.82 -160.88 24.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t 67.7 133.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -161.12 116.83 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.47 -141.38 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.13 117.86 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -98.71 150.57 21.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 p -138.97 138.15 37.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 8.3 t80 -116.54 132.51 56.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.05 89.87 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -50.47 -29.4 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.3 -49.17 54.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.1 p -126.1 29.58 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.91 55.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.7 m -126.05 130.62 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.58 156.63 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.6 m -138.22 117.29 12.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.4 p -109.88 129.67 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.39 -171.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.05 124.86 14.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' O ' HG22 ' A' ' 17' ' ' THR . 79.0 m-85 -104.34 139.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.9 tppm? -108.81 134.5 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 30' ' ' PHE . 33.3 tp -125.98 146.73 49.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.564 ' H ' HD12 ' A' ' 5' ' ' LEU . 96.2 t -133.85 107.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.6 mt -90.17 111.78 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -118.48 68.8 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.69 141.36 17.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -51.29 -28.67 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.8 p -115.17 -44.81 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 39' ' ' VAL . 8.4 tp -104.88 119.6 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.56 136.07 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.48 -163.51 27.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -153.8 157.36 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 5' ' ' LEU . 6.4 t -168.44 165.13 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.0 OUTLIER -135.48 162.03 33.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.673 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.1 t -156.17 146.84 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -108.51 141.48 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -154.89 145.17 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.43 -17.41 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -150.9 163.56 38.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.8 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.58 -58.4 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.747 HG23 ' HB1' ' A' ' 20' ' ' ALA . 12.2 t -57.38 -22.86 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.13 -43.54 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.8 -46.41 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -32.64 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.5 -46.45 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.5 m-85 -60.55 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.5 mmtp -51.77 -38.76 56.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -54.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.39 -28.87 46.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -68.49 -44.3 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -64.69 -53.22 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.67 -34.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -90.74 -3.88 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.09 15.5 60.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 95.5 t -99.22 108.77 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.7 161.79 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.68 -129.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.67 127.19 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -113.03 153.6 27.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -137.67 140.39 40.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -121.03 129.46 53.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -126.59 89.79 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.73 -29.0 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.52 53.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 50' ' ' LYS . 13.5 p -127.81 30.22 5.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.01 55.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.8 m -125.11 126.69 45.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -106.2 154.94 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 m -136.89 123.28 20.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -112.67 122.04 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -115.68 146.69 41.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.94 123.06 12.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.616 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 20.1 m-85 -96.28 135.9 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -101.98 133.16 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 30' ' ' PHE . 39.3 tp -124.05 142.28 51.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.25 107.96 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.4 mt -92.05 110.18 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -118.11 61.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.1 144.57 28.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -26.17 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -117.55 -49.37 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD21 ' OD1' ' A' ' 37' ' ' ASN . 14.4 tp -99.92 128.78 45.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -133.13 143.77 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.14 -170.09 40.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -159.51 138.82 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.98 0.419 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -152.12 170.43 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -132.2 164.67 25.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -157.51 139.68 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.2 139.02 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -154.89 156.71 36.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.9 t -90.23 14.35 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -174.91 141.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.58 76.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -27.88 61.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -71.35 -35.89 71.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.17 -33.46 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.8 -31.24 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -73.62 -37.52 65.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.0 -31.36 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -72.44 -44.88 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -50.12 -39.12 42.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -60.99 -50.89 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.63 -38.55 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.33 -51.84 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -58.23 -52.39 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.09 -40.36 67.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' OD1' HD21 ' A' ' 12' ' ' LEU . 15.4 m-80 -87.17 1.75 52.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 17.18 44.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 53.9 t -103.29 108.51 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.59 160.55 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.68 -133.63 2.96 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.51 125.35 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -104.65 154.74 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 118.75 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.01 125.39 52.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -122.06 92.04 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.94 -33.4 7.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.63 -36.49 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' C ' ' A' ' 50' ' ' LYS . 15.8 p -136.66 30.04 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 55.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -117.0 124.09 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.07 122.46 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.17 153.6 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 7' ' ' ILE . 6.7 p -141.89 122.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -176.57 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.713 0.292 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 138.03 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 17' ' ' THR . 75.1 m-85 -99.21 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -124.04 145.06 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 54' ' ' VAL . 38.3 tp -126.25 147.19 49.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.557 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.6 t -126.65 97.76 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.0 mt -88.62 108.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -112.81 67.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 145.98 27.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -54.78 -23.91 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -121.37 -45.37 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 37' ' ' ASN . 15.3 tp -103.29 125.09 49.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -130.92 133.64 46.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.14 -177.81 46.35 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.34 157.62 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -158.57 156.81 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.2 p -121.59 161.04 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -154.71 177.62 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -143.35 137.28 28.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.03 148.79 19.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.69 -34.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -150.36 -178.54 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.61 -43.86 58.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -36.39 37.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -73.04 -47.59 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.98 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.17 -22.97 53.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -83.38 -42.01 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -49.41 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -40.67 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -30.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.86 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -50.94 -40.05 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -67.55 -48.96 65.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.91 -52.37 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.29 -38.6 66.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 12' ' ' LEU . 20.0 m-80 -88.44 -0.62 57.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.86 14.78 53.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 55.9 t -103.22 105.19 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -132.72 164.66 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.74 -124.39 1.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG13 ' OG1' ' A' ' 55' ' ' THR . 7.3 p -98.42 123.87 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' HG23 ' A' ' 54' ' ' VAL . 20.4 m95 -109.07 152.44 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 p -140.08 163.52 32.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -145.03 137.3 25.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -132.31 91.67 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.2 -33.45 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -36.11 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.5 p -132.27 27.1 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.64 52.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.865 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -134.88 127.84 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.01 169.99 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.6 121.67 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.612 HG12 HD11 ' A' ' 5' ' ' LEU . 6.0 p -110.58 121.73 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.11 135.43 54.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.68 0.276 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -145.47 123.05 11.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 79.6 m-85 -94.71 146.05 24.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -107.2 145.93 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 30' ' ' PHE . 45.9 tp -140.76 124.83 17.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.18 112.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HA ' HG13 ' A' ' 54' ' ' VAL . 12.5 mt -94.32 112.19 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -118.01 60.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.95 139.63 20.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -51.21 -25.96 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -114.7 -46.54 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.2 tp -105.31 122.18 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.1 mttt -131.26 137.7 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.06 -163.5 31.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -149.78 169.67 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.696 ' CG2' HD23 ' A' ' 5' ' ' LEU . 2.1 t 178.73 161.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.2 p -135.67 160.43 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.646 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -154.22 144.62 22.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.56 135.58 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.5 145.7 23.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -50.15 -39.46 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -146.53 -176.23 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -71.21 -45.76 62.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -49.33 -34.51 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 54.7 m -74.35 -49.23 23.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.96 75.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.38 -29.76 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -75.15 -47.72 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.93 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.805 ' CD1' HD22 ' A' ' 5' ' ' LEU . 3.4 m-85 -60.85 -45.72 93.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -50.15 -39.11 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -48.4 81.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -53.74 -33.84 57.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -71.92 -52.27 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -61.23 -51.21 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.14 -37.69 62.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -86.68 -11.77 50.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.57 11.45 85.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.632 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 60.0 t -102.83 110.54 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -137.01 160.92 37.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.76 -123.01 1.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -97.75 133.86 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 23.0 m95 -123.76 158.37 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.6 p -138.6 152.39 48.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 4.8 t80 -137.98 127.65 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -131.2 94.18 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -31.7 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.541 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.5 p -136.96 29.65 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.95 55.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 m -129.46 140.43 51.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -120.24 161.37 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -135.86 112.52 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 7' ' ' ILE . 2.9 p -105.0 133.56 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.44 -171.55 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 139.05 50.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.03 159.92 17.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -113.57 153.9 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' CD1' ' A' ' 30' ' ' PHE . 26.7 tp -138.99 107.69 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.14 99.5 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.44 ' CG2' HG11 ' A' ' 39' ' ' VAL . 5.4 mt -91.1 108.51 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -107.06 67.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.28 -174.81 49.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -80.3 -31.39 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.99 133.25 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.83 87.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.37 -179.02 17.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.48 155.95 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -153.09 -179.78 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -140.23 166.67 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.9 t -153.66 178.38 9.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -140.69 96.08 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.9 150.46 44.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -56.77 -33.07 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -152.54 165.85 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.6 -42.02 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -52.06 -30.14 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 96.5 m -88.7 -48.06 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -56.08 -42.94 77.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -47.68 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -50.67 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.51 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.743 ' CD1' HD22 ' A' ' 5' ' ' LEU . 17.3 m-85 -56.72 -34.13 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -67.39 -39.81 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.25 -44.89 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.94 -20.37 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.0 -56.87 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.98 -44.09 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -33.74 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -101.76 6.54 41.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.62 15.67 47.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -96.21 106.31 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.159 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.82 156.24 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.88 -135.84 3.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.69 131.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.336 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -102.82 150.42 23.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.8 109.83 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -105.46 125.83 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -117.9 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -46.66 -30.99 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.65 59.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.3 p -134.78 28.84 3.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER 30.07 54.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.904 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.4 m -112.6 134.59 54.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 14.1 m-85 -120.85 138.08 54.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -120.41 145.34 47.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.6 t -134.95 113.25 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -176.49 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.72 0.295 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -113.82 129.29 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -104.58 153.01 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 17' ' ' THR . 2.0 ttmt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.706 HD11 HG12 ' A' ' 54' ' ' VAL . 24.7 tp -130.78 147.62 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.88 110.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 mt -89.46 112.97 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.0 62.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.88 140.12 17.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -50.68 -28.34 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 p -110.34 -47.55 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -105.85 120.0 40.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.95 134.85 48.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.92 -166.2 34.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -150.8 164.09 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -172.5 170.24 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 4' ' ' LYS . 9.6 p -138.72 160.05 40.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.664 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.0 t -155.6 141.63 18.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.49 136.94 41.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.58 143.37 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.78 -36.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.21 178.7 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.8 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -53.09 -28.61 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.565 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 75.0 m -73.6 -47.95 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.37 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -60.02 -24.67 64.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -85.36 -39.96 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 -52.3 15.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.0 m-85 -52.04 -48.53 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -55.44 -41.75 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -38.7 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.16 -37.62 69.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -58.35 -43.15 88.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -66.27 -55.61 15.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.82 -30.03 60.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -90.72 -12.34 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.45 14.86 80.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 78.8 t -101.09 110.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -134.27 162.37 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.02 -132.29 2.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.61 128.14 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -112.19 149.03 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 p -123.74 142.32 51.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -127.52 121.45 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -129.31 91.91 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -27.36 25.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.82 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.4 p -129.5 24.47 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.3 pttp 31.48 46.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.2 m -131.02 138.29 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.81 167.31 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.48 126.7 19.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 5' ' ' LEU . 3.3 p -113.57 127.64 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -171.22 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 mtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.716 0.293 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -152.36 122.04 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -101.76 178.64 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -137.38 135.73 37.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.923 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 16' ' ' THR . 41.6 tp -129.15 129.53 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG22 ' OE2' ' A' ' 15' ' ' GLU . 99.3 t -124.72 116.62 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.71 111.8 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.76 66.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.97 23.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -51.24 -29.07 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.6 p -117.64 -44.14 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.2 tp -103.05 118.27 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -127.22 134.42 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.84 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.84 -164.32 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE2' HG22 ' A' ' 6' ' ' VAL . 4.0 tt0 -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 5' ' ' LEU . 15.3 t -175.84 174.09 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 4' ' ' LYS . 76.6 p -143.74 167.43 22.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -153.29 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -141.58 126.59 18.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.83 -35.42 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.65 -174.74 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.85 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.52 -58.5 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.6 m -56.72 -23.53 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.44 -38.58 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.69 -48.69 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -57.88 -38.1 75.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.72 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.67 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.4 m-85 -79.05 -44.47 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -51.29 -43.1 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.59 -53.23 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.14 -31.97 45.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -70.31 -56.94 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -60.45 -48.07 83.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -37.18 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' HB3' HD23 ' A' ' 12' ' ' LEU . 5.4 m120 -91.11 -5.82 54.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.95 9.22 83.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG13 ' HG3' ' A' ' 56' ' ' GLU . 79.1 t -99.85 110.25 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -134.9 162.82 31.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.21 -113.4 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.45 138.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CH2' HD11 ' A' ' 5' ' ' LEU . 25.6 m95 -137.64 90.05 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -101.94 162.94 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.67 141.39 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 t70 -116.23 96.01 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.18 -29.42 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -51.45 -46.64 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' LYS . 21.5 p -127.91 30.38 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.4 ptpt 35.19 46.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 m -106.0 119.45 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -108.72 139.41 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 m -123.73 138.41 54.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.5 p -126.11 103.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.9 m -98.54 158.72 15.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.827 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -158.49 128.45 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' O ' HG22 ' A' ' 17' ' ' THR . 59.0 m-85 -115.95 146.75 41.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HA ' HG22 ' A' ' 17' ' ' THR . 12.8 tptt -115.68 136.42 53.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.2 tp -131.07 148.47 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.32 112.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.5 mt -91.53 109.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.4 65.75 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.32 145.34 30.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 11' ' ' THR . 3.9 pttm -51.78 -27.64 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 10' ' ' LYS . 46.4 p -121.25 -44.05 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 13' ' ' LYS . 6.1 tp -101.49 120.01 39.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mttt -125.78 133.57 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.01 -169.54 30.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.17 141.02 17.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.2 t -151.79 165.69 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 4' ' ' LYS . 2.3 p -135.59 160.7 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.2 t -158.36 139.01 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.19 144.96 25.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -161.02 138.94 9.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.6 m -51.06 -32.09 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.607 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -145.64 172.14 13.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.907 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.45 -25.17 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 -58.46 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.931 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.6 t -65.04 -26.73 68.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.77 -45.72 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.39 -40.64 78.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -35.32 73.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.69 17.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.4 m-85 -62.0 -45.45 93.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 25.9 mmtm -51.69 -40.17 59.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.26 -51.99 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.53 -28.43 54.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 43' ' ' TRP . . . -72.77 -54.72 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.48 -49.26 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -52.08 -40.82 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' OD1' HD21 ' A' ' 12' ' ' LEU . 12.8 m-80 -86.61 -11.06 52.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 9.2 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.512 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 54.6 t -98.5 108.84 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -135.63 164.48 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.49 -128.47 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 42' ' ' VAL . 6.0 p -98.22 121.49 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 25.9 m95 -104.19 160.43 14.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.5 p -141.48 154.95 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.71 127.07 19.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -128.22 91.97 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -32.79 17.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.06 23.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.2 p -133.78 27.31 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.92 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -134.59 134.41 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.22 169.87 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.29 118.41 10.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 7' ' ' ILE . 5.5 p -109.78 133.15 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -171.68 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.72 0.295 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.36 130.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 32.8 m-85 -125.65 165.08 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.34 152.17 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.42 128.98 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.52 114.3 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' HA ' HG13 ' A' ' 54' ' ' VAL . 90.6 mt -94.82 124.12 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 59.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.23 165.82 43.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -78.53 -26.8 45.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.4 p -119.88 -52.28 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.3 tp -87.96 134.31 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.75 87.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.17 -179.33 15.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -120.86 139.65 52.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.21 101.7 5.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -106.46 148.2 28.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -160.29 -172.34 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 146.55 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.756 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -156.44 143.38 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.29 -26.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -161.85 153.77 19.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -24.69 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -65.5 -61.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' HB1' ' A' ' 20' ' ' ALA . 4.0 t -58.63 -34.24 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -72.86 -40.89 65.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -51.81 -35.29 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.6 -46.16 33.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.53 -31.0 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.06 -35.98 77.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -15.67 58.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -82.33 -29.53 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -75.25 -42.8 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -65.25 -56.26 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -53.22 -30.26 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -77.61 -31.05 52.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' O ' HG23 ' A' ' 39' ' ' VAL . 37.3 m-80 -102.89 24.91 9.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.94 50.62 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.662 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 15.9 t -123.64 116.53 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.21 158.24 43.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.32 -112.81 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -96.84 136.45 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -137.8 89.72 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -101.19 164.97 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.34 139.14 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -112.54 96.14 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.99 -30.27 24.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.78 -56.84 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.573 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -99.32 30.65 3.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.42 65.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -135.48 139.07 43.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -119.66 130.18 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -116.15 125.4 52.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.0 p -118.52 112.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 137.97 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.755 0.312 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.78 120.63 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -102.1 165.13 11.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -136.37 156.63 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 54' ' ' VAL . 14.6 tp -139.34 134.82 33.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.536 ' N ' HD12 ' A' ' 5' ' ' LEU . 90.8 t -122.73 107.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 ' HA ' HG13 ' A' ' 54' ' ' VAL . 11.5 mt -94.88 125.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -116.12 64.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.13 158.88 44.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -67.05 -14.53 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -129.52 -41.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -101.82 136.76 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 100.04 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.13 -176.58 22.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -139.6 164.71 29.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.531 HG23 ' HE1' ' A' ' 30' ' ' PHE . 8.8 t -162.66 168.64 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' HG3' ' A' ' 4' ' ' LYS . 49.6 p -130.28 157.02 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.514 HG22 ' CE2' ' A' ' 30' ' ' PHE . 2.1 t -156.4 143.0 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.76 134.7 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -153.84 147.87 25.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.6 t -51.01 -43.73 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.26 -178.29 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -51.44 -30.34 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.665 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 47.0 m -76.02 -52.32 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.53 77.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 67.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -44.05 23.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.12 -48.13 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HE1' HG23 ' A' ' 16' ' ' THR . 1.5 m-85 -52.79 -45.39 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -50.77 -39.88 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -60.85 -55.23 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -50.67 -35.12 29.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.46 -58.06 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.31 -55.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -55.4 -25.16 34.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.11 23.0 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.69 -156.07 13.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.744 HG13 ' HG3' ' A' ' 56' ' ' GLU . 84.3 t 66.03 132.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -161.24 157.6 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.49 -133.92 2.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.3 131.75 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -107.13 147.64 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.93 119.84 18.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -111.1 132.83 53.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.673 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 22.7 t70 -130.74 95.43 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -31.85 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.673 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -49.38 -36.54 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 50' ' ' LYS . 9.4 p -130.48 27.89 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.58 53.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.901 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 t -133.65 136.99 45.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -109.46 161.01 15.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.84 120.93 15.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 5' ' ' LEU . 7.3 p -116.91 119.28 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.57 154.87 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.744 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.99 128.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -118.53 148.87 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -115.15 137.78 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 30' ' ' PHE . 24.4 tp -129.1 145.05 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.607 ' H ' HD12 ' A' ' 5' ' ' LEU . 91.0 t -131.37 112.43 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mt -96.78 106.94 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -115.56 65.42 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.98 141.56 20.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -29.05 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -115.4 -45.06 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' LYS . 9.6 tp -103.54 119.16 38.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -128.6 137.31 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.858 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.91 -168.3 37.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -151.27 159.61 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' CE2' ' A' ' 33' ' ' TYR . 9.0 t -169.75 168.63 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 p -134.48 161.96 33.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 t -152.4 146.08 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.16 121.29 44.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.83 150.55 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.03 -44.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.3 174.29 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.37 -49.25 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.67 -30.69 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -73.99 -46.27 44.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -30.64 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.97 -30.16 71.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -42.87 37.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.68 54.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-85 -51.75 -44.9 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -51.35 -36.76 44.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -56.32 14.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CE2' HG21 ' A' ' 16' ' ' THR . 48.0 t80 -50.14 -36.06 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.76 -61.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.99 -54.44 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.12 -36.07 60.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 22.79 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.53 -161.22 16.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t 67.85 133.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -159.54 120.97 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.25 -142.33 3.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 42' ' ' VAL . 5.8 p -94.92 121.69 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -99.11 159.55 14.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.3 p -146.76 157.26 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -135.04 135.73 41.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -130.61 91.32 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.97 -29.04 7.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.43 -52.27 39.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -124.92 30.68 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.15 55.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.7 m -128.91 130.69 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -107.27 163.38 13.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -139.36 120.99 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.04 131.24 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.22 -171.18 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.91 120.97 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -97.28 153.85 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -112.24 135.44 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 6' ' ' VAL . 31.9 tp -130.19 142.49 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.9 t -132.22 115.25 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' HG13 ' A' ' 54' ' ' VAL . 56.1 mt -94.73 114.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.03 71.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 156.4 24.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -65.14 -22.94 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.77 -5.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 12' ' ' LEU . 3.0 tp -132.56 142.1 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -150.83 92.81 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.57 -161.65 9.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 162.45 41.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.965 0.412 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -172.59 166.72 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -147.46 173.36 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.697 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -154.15 -176.89 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -140.46 103.76 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -123.56 144.21 49.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -50.68 -37.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -144.56 -176.47 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.22 -51.1 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -52.18 -29.48 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.751 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 30.2 m -75.35 -51.19 13.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.69 -27.51 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -25.31 65.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -46.27 15.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -52.33 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.697 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.1 m-85 -51.9 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 6.1 mmmt -62.36 -37.38 85.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -50.39 55.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -59.95 -23.64 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.28 -56.62 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -56.63 -47.49 79.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.82 -32.41 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.91 9.25 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.47 39.63 60.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 39.0 t -112.31 105.93 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -128.67 156.33 43.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.83 -137.53 4.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.9 t -101.69 108.7 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -91.67 161.82 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.9 p -141.61 148.69 39.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.44 125.47 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.83 89.24 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.74 -30.44 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -40.24 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.54 25.11 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 -179.932 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.39 49.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.9 m -125.79 131.46 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -111.38 162.37 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -135.35 114.38 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' A' ' 7' ' ' ILE . 3.1 p -108.63 124.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.64 -171.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.87 128.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -124.03 143.68 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -114.98 129.48 56.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 6' ' ' VAL . 9.1 tp -122.73 139.11 54.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 5' ' ' LEU . 97.7 t -124.92 132.02 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.71 119.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -119.97 64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.48 133.32 11.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -49.95 -28.95 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -108.99 -43.87 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.8 tp -113.6 118.5 34.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.94 147.44 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.825 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.21 -164.71 38.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' HG22 ' A' ' 6' ' ' VAL . 9.0 tt0 -148.71 169.14 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 t -176.51 164.59 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 4' ' ' LYS . 11.0 p -141.56 164.97 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.0 -177.55 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -142.18 124.96 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.86 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.08 149.92 37.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.99 -34.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.67 -177.27 5.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.62 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -65.39 -58.03 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 m -55.28 -24.18 26.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -84.4 -36.93 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -38.92 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -39.01 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.46 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 18' ' ' THR . 2.5 m-85 -79.45 -44.64 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 mmtp -62.22 -45.6 92.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.41 -53.37 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -56.14 -25.2 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -70.32 -48.42 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.86 -49.59 76.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.57 -28.7 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.87 -10.06 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.24 24.09 69.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' HD23 ' A' ' 12' ' ' LEU . 96.6 t -101.13 120.5 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.17 149.53 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.43 -123.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.71 129.47 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' NE1' HG23 ' A' ' 54' ' ' VAL . 29.2 m95 -116.13 141.99 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 p -120.55 140.15 51.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -129.54 121.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -129.1 91.16 3.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.12 -32.53 35.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.28 -42.78 21.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' OG1' ' A' ' 51' ' ' THR . 8.6 t -136.23 32.2 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.87 54.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.865 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.542 ' OG1' HG23 ' A' ' 49' ' ' THR . 99.6 m -108.95 102.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -99.68 136.67 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -130.55 156.77 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' NE1' ' A' ' 43' ' ' TRP . 3.4 p -137.53 120.94 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -105.25 167.27 9.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -142.18 122.06 13.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -93.82 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 17' ' ' THR . 11.6 tptt -117.31 136.3 53.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 30' ' ' PHE . 34.5 tp -126.72 146.46 50.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.562 ' H ' HD12 ' A' ' 5' ' ' LEU . 99.7 t -129.17 106.11 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.8 mt -90.38 111.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -118.91 64.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.64 142.29 21.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.16 -26.62 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -117.65 -44.5 2.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.711 HD23 ' CG2' ' A' ' 39' ' ' VAL . 7.8 tp -103.48 116.78 33.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.7 mttt -127.9 130.9 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.16 -168.21 33.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.512 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.99 161.09 43.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -173.89 162.88 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 5.7 p -129.09 162.85 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.16 147.69 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 137.7 51.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -156.32 147.35 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' OD2' ' A' ' 22' ' ' ASP . 3.1 m -51.5 -32.58 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' OD2' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -140.04 167.59 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.22 -10.03 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -84.13 -57.3 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.717 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t -55.02 -29.97 58.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.68 -36.1 70.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -51.61 -37.48 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -44.16 88.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.95 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD1' HD22 ' A' ' 5' ' ' LEU . 1.1 m-85 -64.82 -43.81 91.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.99 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.31 -42.37 99.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -55.88 -61.25 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.36 -52.81 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -54.89 -57.1 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.95 -24.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -90.68 -11.28 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.7 -2.08 82.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.711 ' CG2' HD23 ' A' ' 12' ' ' LEU . 79.4 t -92.62 133.94 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -156.82 156.86 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.04 -135.63 3.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.63 126.83 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -110.95 153.0 26.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -139.38 162.74 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -144.29 134.39 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.23 90.97 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -30.5 11.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -38.45 33.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -131.85 25.12 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.869 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 49' ' ' THR . 6.6 pttp 32.21 46.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -128.35 132.93 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -103.55 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.23 121.94 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 HD11 ' A' ' 5' ' ' LEU . 5.9 p -114.91 134.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.77 -171.06 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.99 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.62 120.32 16.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -94.97 146.34 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.2 tptm -110.73 113.09 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 30' ' ' PHE . 6.1 tp -107.82 122.64 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.672 HG22 ' OE2' ' A' ' 15' ' ' GLU . 93.0 t -116.23 107.67 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mt -97.27 121.38 47.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -119.12 75.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.39 140.43 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.12 -27.12 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -114.48 -44.58 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.6 tp -108.14 121.89 45.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -127.72 120.28 27.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.784 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -166.04 15.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' OE2' HG22 ' A' ' 6' ' ' VAL . 10.0 tt0 -153.22 166.1 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 ' CG2' HD23 ' A' ' 5' ' ' LEU . 10.1 t -177.58 167.41 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.2 p -140.14 162.3 35.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.587 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 147.81 29.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.27 105.78 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -132.26 151.38 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.93 -35.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -153.51 -176.72 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -72.27 -46.79 54.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.06 -30.6 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -82.08 -47.33 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.05 -36.96 80.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -51.89 -43.38 63.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -41.87 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.63 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.781 ' CD1' HD22 ' A' ' 5' ' ' LEU . 6.5 m-85 -71.33 -45.69 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.43 -45.07 62.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -54.02 -37.95 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -65.48 -55.93 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.26 -36.46 52.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.21 -57.79 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -56.78 -26.5 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -91.83 -12.45 33.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.82 24.81 76.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 97.6 t -110.98 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -139.46 157.39 45.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.94 -126.94 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -97.52 128.45 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CE3' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -107.59 150.75 26.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.05 116.93 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -108.7 124.91 51.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -124.32 89.04 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.71 -32.1 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.85 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 2.2 m -143.31 27.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 30.66 51.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.879 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.5 m -108.67 132.19 54.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 28.6 m-85 -121.1 129.3 53.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.03 152.08 27.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG22 ' CE3' ' A' ' 43' ' ' TRP . 86.8 t -138.3 122.62 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -113.59 -179.77 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 55' ' ' THR . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.729 0.299 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -111.93 128.43 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.83 159.1 16.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 143.36 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD11 HG12 ' A' ' 54' ' ' VAL . 39.2 tp -130.48 147.33 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.571 ' H ' HD12 ' A' ' 5' ' ' LEU . 98.7 t -124.25 106.29 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.4 mt -85.89 109.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -115.67 66.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.44 20.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -51.62 -27.0 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.4 p -115.87 -45.1 2.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 13' ' ' LYS . 5.9 tp -105.08 118.2 35.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.3 mttt -126.82 129.31 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.51 -174.23 38.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -143.26 165.34 27.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -173.5 173.67 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.8 p -135.68 157.9 45.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -148.93 130.83 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 116.7 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.54 149.29 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.0 t -59.79 -23.11 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.89 165.21 34.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -38.08 78.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.6 -32.28 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.1 m -76.54 -24.05 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.42 -36.57 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -50.71 -44.54 58.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -35.94 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.07 -49.99 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -54.56 -43.94 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.5 mmtt -61.64 -37.51 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -47.51 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -63.49 -22.74 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -74.33 -56.94 4.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.55 -48.39 81.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -54.78 -34.51 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HB3' HD23 ' A' ' 12' ' ' LEU . 23.3 m-80 -93.35 -1.93 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.36 6.64 66.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 61.1 t -93.95 108.45 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.54 160.94 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.8 -130.91 2.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.3 m -97.97 127.07 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 34' ' ' ALA . 24.0 m95 -112.12 151.7 29.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 p -131.61 149.77 52.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.45 127.4 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -127.01 89.86 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.94 -32.16 14.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.62 -35.37 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.1 p -133.2 27.19 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 26.32 52.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -133.96 132.41 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.43 171.78 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.34 119.77 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 HD11 ' A' ' 5' ' ' LEU . 3.1 p -110.71 132.34 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.24 -171.67 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.32 123.53 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.6 146.48 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD23 ' OG1' ' A' ' 16' ' ' THR . 28.0 tp -106.11 105.07 14.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.52 114.45 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mt -101.38 140.74 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.86 71.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.63 159.22 19.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -72.17 -27.19 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.6 10.66 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD21 ' ND2' ' A' ' 37' ' ' ASN . 1.5 tp -146.79 122.02 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -144.52 85.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.88 -174.25 13.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -130.08 129.35 43.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.574 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -119.75 99.52 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -101.63 142.67 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.747 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -156.45 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 153.52 36.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 143.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.33 -40.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -149.62 157.77 43.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.02 -36.29 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -50.84 -30.62 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -88.38 -49.23 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.91 -37.35 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.58 -70.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -36.69 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.69 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.6 m-85 -74.18 -41.89 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -51.34 -49.25 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.22 -24.14 64.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.434 ' CD2' HG21 ' A' ' 16' ' ' THR . 42.1 t80 -77.31 -45.18 27.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.548 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -66.59 -52.55 44.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -56.45 -26.13 52.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.72 -22.84 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' ND2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -105.64 34.68 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.908 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.67 44.24 47.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 62.3 t -117.62 135.14 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -162.33 122.84 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.2 -128.01 1.03 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' HG22 ' A' ' 55' ' ' THR . 2.7 t -89.63 163.36 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' N ' HG12 ' A' ' 42' ' ' VAL . 63.2 m95 -138.16 89.71 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.71 103.92 14.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.88 141.65 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -117.89 126.85 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.09 1.43 36.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.09 -61.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -99.43 32.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.954 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 23.96 61.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -119.42 116.77 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -110.49 104.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -100.55 141.17 33.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 5' ' ' LEU . 73.5 t -135.91 92.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.03 137.72 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.978 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.687 0.28 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -144.1 128.87 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 11.3 m-85 -124.67 161.55 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -129.9 132.03 46.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD11 ' CG2' ' A' ' 54' ' ' VAL . 6.9 tp -115.3 112.8 22.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.7 t -97.4 148.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -112.05 98.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.74 51.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.56 -156.51 19.86 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -63.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.43 40.55 3.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 37' ' ' ASN . 16.3 tp -147.44 113.35 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.91 142.58 50.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.24 175.13 39.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.88 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.21 135.95 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -128.33 95.06 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -93.95 145.21 24.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -157.58 -177.34 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -127.07 148.94 50.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -162.7 153.89 17.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 22' ' ' ASP . 18.6 m -85.55 0.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 21' ' ' VAL . 9.6 p-10 -176.79 136.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -51.04 -31.23 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -85.14 -51.34 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -58.22 -29.77 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -51.32 -45.24 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.36 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.72 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.9 m-85 -72.67 -40.89 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -18.3 47.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -85.12 -19.24 32.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -85.87 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.6 -49.24 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -56.78 -32.28 65.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.631 ' HB3' HD21 ' A' ' 12' ' ' LEU . 60.4 m-80 -115.85 27.72 9.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.36 53.28 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.634 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 22.0 t -125.72 135.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -161.51 138.23 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.26 -124.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.7 t -91.57 162.73 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.1 m95 -142.92 93.9 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -88.69 114.16 25.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 131.93 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -123.53 121.56 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.55 0.37 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.33 -62.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -99.48 32.6 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.15 68.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.879 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -118.1 121.24 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -121.95 121.12 36.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 m -128.67 153.55 47.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.583 ' CG2' HD11 ' A' ' 5' ' ' LEU . 92.8 t -134.22 88.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -97.36 136.02 38.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.95 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.03 122.18 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 7.8 m-85 -124.26 142.68 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 17' ' ' THR . 15.1 ttmt -113.47 131.85 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 30' ' ' PHE . 12.6 tp -103.64 117.77 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 15' ' ' GLU . 92.9 t -108.19 118.8 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.39 133.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.8 74.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.81 176.39 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.95 -29.38 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -118.69 -52.78 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.55 128.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -151.84 86.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.84 179.43 17.64 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 6' ' ' VAL . 22.8 mm-40 -108.02 149.99 27.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m -142.9 94.12 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.4 p -97.17 142.08 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.4 m -155.41 164.22 39.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' THR . 3.0 ptmt -110.2 148.41 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.14 155.99 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.836 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 m -67.5 -40.25 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -154.21 159.47 41.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.51 -25.54 37.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.97 -54.24 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -87.06 -29.56 21.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.42 -42.98 99.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -50.55 -60.92 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -42.33 44.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.03 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 5' ' ' LEU . 36.9 m-85 -81.66 -40.59 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -57.2 -45.58 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -57.52 -22.44 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -78.88 -60.19 2.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -52.62 -48.4 66.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.06 -34.73 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -91.93 -1.43 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -115.2 20.65 14.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.22 42.89 98.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -130.36 135.66 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.1 122.16 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.67 -122.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 43' ' ' TRP . 2.6 t -92.3 163.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' N ' HG12 ' A' ' 42' ' ' VAL . 68.2 m95 -139.54 91.13 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.54 107.28 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.29 141.18 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -118.58 129.05 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.83 0.85 33.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.33 -65.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.4 p -101.67 34.53 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.92 62.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.2 m -113.84 107.96 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.5 m-85 -102.59 108.88 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.9 146.65 33.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -138.12 102.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -97.91 131.81 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.711 0.291 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.33 122.62 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.45 158.71 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' A' ' 17' ' ' THR . 26.5 ttmt -124.79 135.15 52.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 HG21 ' A' ' 54' ' ' VAL . 7.8 tp -108.03 109.47 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -99.75 121.57 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' CG2' HG11 ' A' ' 39' ' ' VAL . 39.3 mt -104.76 144.19 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -124.96 72.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 156.11 18.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -73.71 -22.6 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 8.09 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tp -146.79 122.74 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.55 82.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.78 -177.33 14.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.25 152.04 38.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 m -141.59 100.51 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.6 p -107.22 140.32 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.1 t -153.94 -175.98 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 148.83 43.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -165.82 151.78 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.13 -46.38 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -152.03 164.78 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.54 -26.84 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.34 -58.74 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -84.12 -27.57 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -63.77 -44.3 93.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -54.6 -58.29 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.18 -37.81 36.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.92 94.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CE1' HG22 ' A' ' 18' ' ' THR . 51.9 m-85 -76.1 -37.84 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.997 0.427 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -62.2 -17.46 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -82.51 -11.01 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -92.05 -61.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.07 -47.9 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.891 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.33 -34.64 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.46 -8.48 57.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -105.7 -11.24 16.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.0 20.9 44.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' CG2' ' A' ' 7' ' ' ILE . 42.1 t -107.76 124.0 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 0.0 111.093 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.9 150.26 35.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.33 -114.2 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.69 146.77 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -131.64 86.14 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -104.08 158.07 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.74 142.95 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -114.82 121.14 42.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -78.44 0.15 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.23 -54.73 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.84 32.33 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.895 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.26 58.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.4 m -120.27 128.2 53.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.98 125.67 49.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.11 144.07 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 5' ' ' LEU . 69.5 t -138.32 92.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -92.87 140.65 29.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.7 0.286 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 66.93 127.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 39.1 m-85 -127.45 159.56 34.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -125.69 132.43 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.617 HD11 ' CG2' ' A' ' 54' ' ' VAL . 9.3 tp -108.69 110.54 21.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.79 117.9 45.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt -102.06 144.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -126.05 72.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 153.39 19.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.72 -21.7 60.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.26 5.71 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 12' ' ' LEU . 1.8 tp -145.92 124.48 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -143.05 83.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.65 -178.14 15.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.61 139.68 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 m -129.57 101.78 6.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 p -108.57 144.56 36.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.3 t -156.82 -174.69 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 147.52 45.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . . . -161.49 146.19 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -54.25 -46.05 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -144.12 166.18 25.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.43 -44.98 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.56 -31.16 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.54 -52.11 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -59.64 -38.04 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -50.86 -34.97 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -40.48 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.64 -48.53 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.79 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 45.1 m-85 -65.39 -35.8 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -65.48 -13.64 59.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.47 -11.66 53.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -94.42 -58.84 2.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -47.91 -54.18 13.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.152 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -56.75 -31.8 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -15.89 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.42 7.62 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.48 37.96 52.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.693 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 2.2 t -115.39 128.37 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.44 142.67 25.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.11 -124.32 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.47 147.21 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -134.29 87.62 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -103.46 159.51 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.17 142.97 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.59 120.44 40.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.1 -3.05 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -56.12 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -103.96 31.18 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.41 58.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.886 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.9 m -120.54 131.21 54.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -119.2 134.27 55.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -120.52 144.5 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.617 ' CG2' HD11 ' A' ' 5' ' ' LEU . 79.7 t -136.47 91.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -91.9 134.96 34.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.735 0.302 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -110.64 129.6 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 42.8 m-85 -110.42 152.36 26.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.3 ttmt -129.85 131.21 46.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 16' ' ' THR . 3.2 tp -110.36 118.56 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.59 110.52 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.9 mt -93.78 139.05 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -121.39 68.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 151.74 21.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -25.7 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.1 9.78 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.4 tp -148.51 124.0 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.13 82.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.86 -178.74 15.73 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.06 153.23 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -145.92 101.26 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.889 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' HG3' ' A' ' 4' ' ' LYS . 3.1 p -104.28 140.09 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.73 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.9 t -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.177 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.43 147.97 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -160.04 140.82 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -51.43 -41.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -138.78 179.48 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.31 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -50.4 -40.19 49.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -67.07 -45.41 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . . . -65.4 -39.66 92.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.73 -57.53 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -35.84 79.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.14 45.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' A' ' 18' ' ' THR . 28.5 m-85 -62.59 -37.77 87.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -18.54 43.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -12.77 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -88.88 -60.42 1.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.604 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.86 -50.82 56.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 179.885 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -56.43 -32.69 65.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.55 -5.15 58.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -112.21 6.39 18.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.86 43.01 51.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 59.4 t -123.44 141.25 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -164.58 125.41 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -120.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -87.5 146.99 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -132.49 87.49 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -88.92 166.25 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -160.06 139.65 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -130.12 121.65 26.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -78.55 1.43 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.57 -62.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -101.61 33.02 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.13 58.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.867 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.5 m -123.25 130.24 52.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -97.28 -64.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 m 66.81 126.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 5' ' ' LEU . 53.6 t -128.24 114.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 m -101.16 136.23 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.684 0.278 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -179.76 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -115.97 153.99 30.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -111.1 126.06 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 52' ' ' PHE . 22.7 tp -107.39 94.39 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 127.11 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -108.85 137.65 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -119.26 66.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.14 170.58 45.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.8 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 p -119.11 -51.94 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.55 132.69 35.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.46 88.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.53 -178.56 15.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.54 151.23 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.504 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -142.0 104.52 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.925 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.408 HG22 ' HD3' ' A' ' 4' ' ' LYS . 2.4 p -111.15 141.4 44.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 t -153.81 -179.76 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -119.17 138.0 53.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.98 151.46 25.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.787 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.05 -46.78 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -151.76 164.29 37.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.58 -25.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -54.01 -55.76 24.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -88.25 -24.13 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.02 -49.44 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.53 -53.23 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -30.32 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -67.25 -37.21 83.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CG ' HD13 ' A' ' 5' ' ' LEU . 11.6 m-85 -75.83 -39.14 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -55.53 -23.73 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -26.28 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 16' ' ' THR . 44.2 t80 -79.07 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.08 -47.54 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -56.29 -34.58 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.0 -3.96 58.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -114.49 15.72 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.88 43.85 98.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.7 t -125.49 134.38 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -161.6 141.96 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.33 -121.69 1.02 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 ' HB ' HG22 ' A' ' 55' ' ' THR . 5.5 t -93.78 158.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 58.4 m95 -139.85 95.58 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -90.89 110.96 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -113.0 129.63 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' OD2' HG22 ' A' ' 49' ' ' THR . 34.7 t0 -118.14 126.0 51.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.82 1.14 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -95.64 -62.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.601 HG22 ' OD2' ' A' ' 46' ' ' ASP . 8.9 t -105.25 34.5 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 20.67 65.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.893 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.597 ' OG1' HG23 ' A' ' 49' ' ' THR . 93.3 m -113.33 128.9 56.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 5' ' ' LEU . 4.3 m-85 -123.0 97.74 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -100.39 137.26 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -125.31 97.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.599 HG22 ' HB ' ' A' ' 42' ' ' VAL . 14.4 t -95.24 136.65 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 39' ' ' VAL . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -153.63 125.7 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 9.0 m-85 -125.65 159.99 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -125.49 129.95 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.2 tp -101.63 97.79 8.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -91.5 108.65 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.833 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.7 mt -95.28 142.5 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.559 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -122.15 69.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.89 160.03 27.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -74.1 -28.15 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.4 p -122.04 -51.45 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.06 120.65 28.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -139.87 146.84 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 -174.92 43.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.89 142.7 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -131.95 96.12 3.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.874 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -97.79 144.12 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -157.21 179.82 8.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 148.02 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -166.39 148.81 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.5 -40.75 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -153.52 160.86 42.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.15 -21.64 47.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.89 -56.5 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -85.31 -21.57 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.0 -50.31 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -51.46 -52.5 45.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -23.1 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -73.63 -38.38 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 5' ' ' LEU . 34.3 m-85 -75.51 -35.78 60.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -61.07 -17.58 53.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -18.64 33.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD2' HG21 ' A' ' 16' ' ' THR . 16.0 t80 -87.39 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -50.12 -49.38 51.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -5.12 58.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -115.23 27.41 9.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.86 46.01 77.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.567 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.5 t -126.92 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -162.29 124.7 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.64 -127.95 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.92 138.38 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -111.55 89.15 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 104.04 15.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.53 139.44 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -116.49 125.79 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.88 1.5 34.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.61 -62.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' ' C ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -97.85 30.93 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.919 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 28.31 55.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.856 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.9 m -113.73 125.58 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -119.26 104.63 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -102.09 137.59 40.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -135.82 88.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 8' ' ' ASN . 24.1 m -96.36 143.29 27.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.702 0.286 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.81 126.59 25.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.72 157.0 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -129.73 120.63 25.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.739 HD22 ' CD1' ' A' ' 30' ' ' PHE . 52.4 tp -111.58 147.52 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -136.27 123.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.12 122.99 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.3 66.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.95 138.6 14.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -50.6 -30.4 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 p -116.36 -40.08 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 39' ' ' VAL . 4.5 tp -108.01 111.63 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -125.72 144.94 50.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.04 -163.69 32.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -151.91 168.81 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 5' ' ' LEU . 7.3 t -175.56 164.47 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -136.9 155.11 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 145.04 24.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 140.88 38.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -164.54 147.74 8.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -51.03 -42.11 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -146.5 174.92 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . . . -72.88 -28.65 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -53.19 -51.55 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.634 ' CG2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -74.15 -30.55 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.71 86.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -51.54 -35.67 41.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.14 -55.89 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.15 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.739 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.7 m-85 -80.44 -47.46 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -52.18 -47.28 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.82 -29.53 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.48 -58.93 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -51.18 -49.37 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -53.49 -58.18 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -62.74 -17.04 60.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -98.26 -2.06 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.43 89.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 12' ' ' LEU . 21.3 t -125.81 136.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -155.34 152.61 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.9 -126.55 1.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.76 140.06 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -131.91 131.73 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.0 p -123.12 167.27 13.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 23' ' ' ALA . 15.5 t80 -147.9 143.2 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -134.82 118.02 16.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -78.71 1.77 21.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -60.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -104.0 31.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.903 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.81 51.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.879 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -120.17 144.01 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -111.83 -62.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 68.85 137.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.17 124.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.7 123.82 48.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.963 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.11 119.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.86 149.01 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -104.18 116.67 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 16' ' ' THR . 17.4 tp -102.5 113.68 27.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.11 113.45 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.03 136.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.67 76.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.52 160.26 15.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -77.23 -25.53 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.88 10.11 9.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tp -146.85 118.86 8.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 81.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.94 -176.04 14.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -123.25 130.88 53.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -123.58 94.26 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -92.75 145.94 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 19' ' ' LYS . 1.3 m -156.97 164.59 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 18' ' ' THR . 0.0 OUTLIER -106.67 147.7 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.37 144.89 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.74 -36.53 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -152.47 147.46 26.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -53.61 -26.98 24.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -50.89 -46.66 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -93.74 -25.53 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -66.1 -41.65 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -50.42 -59.25 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -48.99 -43.34 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.25 69.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.789 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -78.33 -38.18 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -45.63 91.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -41.54 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -68.42 -28.33 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.73 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -54.68 -26.31 32.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -22.99 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.69 25.06 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 -168.65 54.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t 67.55 134.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -167.43 113.87 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.68 -121.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.7 t -89.69 154.64 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' N ' HG12 ' A' ' 42' ' ' VAL . 73.4 m95 -127.3 90.85 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.4 110.72 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.77 138.22 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 24.6 t0 -109.11 130.1 55.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 0.59 36.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -96.71 -66.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.572 ' O ' ' C ' ' A' ' 50' ' ' LYS . 8.8 t -99.13 34.14 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.3 63.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.875 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 49' ' ' THR . 88.0 m -116.63 111.98 20.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 11.8 m-85 -103.48 113.68 27.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.34 138.84 42.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -130.22 96.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -99.37 124.44 44.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.714 0.292 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -157.12 133.56 9.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.08 152.96 45.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 17' ' ' THR . 8.1 tppt? -116.71 148.85 40.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 4.4 tp -125.67 99.76 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.895 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.79 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -91.45 137.77 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 71.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.01 165.63 30.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -21.71 54.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 p -123.1 -51.93 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.57 135.0 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -152.06 88.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.45 -177.3 14.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -120.81 134.75 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 102.85 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.919 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 ' CE ' ' A' ' 4' ' ' LYS . 4.5 p -102.97 140.59 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.612 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.4 t -158.49 175.41 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 149.14 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -162.53 146.78 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.97 -46.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -153.86 164.1 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . . . -54.56 -26.23 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.69 -47.26 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' HB1' ' A' ' 20' ' ' ALA . 9.0 t -92.6 -35.25 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . . . -60.64 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.871 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -50.98 -30.6 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -42.7 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.5 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HG22 ' A' ' 18' ' ' THR . 1.6 m-85 -60.48 -21.71 62.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -7.16 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -20.71 23.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -75.36 -68.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -48.4 -45.61 36.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -53.78 -41.74 67.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -85.99 -6.0 59.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' HG23 ' A' ' 39' ' ' VAL . 48.7 m-80 -111.74 17.5 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.91 46.51 55.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 99.2 t -125.25 143.68 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.37 125.58 5.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.13 -146.96 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 HG22 ' A' ' 55' ' ' THR . 26.6 m -99.75 124.39 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' HZ3' HD13 ' A' ' 5' ' ' LEU . 92.0 m95 -93.2 127.17 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 p -115.91 122.41 45.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.703 ' CE1' ' HB2' ' A' ' 23' ' ' ALA . 20.0 t80 -104.0 135.82 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -134.11 111.4 10.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.54 -1.71 22.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.31 -62.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.0 p -106.51 30.66 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.878 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 17.06 68.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -138.46 147.63 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.8 148.11 44.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -138.87 125.02 20.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.17 126.05 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.418 HG22 HG22 ' A' ' 42' ' ' VAL . 1.8 t -112.92 119.53 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.706 0.289 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.32 126.18 54.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 m-85 -109.33 152.25 25.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.02 54.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 30' ' ' PHE . 6.8 tp -109.45 112.9 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.67 120.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.49 HG23 HG11 ' A' ' 39' ' ' VAL . 12.6 mt -103.12 140.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.25 70.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.95 168.56 32.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -26.55 56.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 p -119.51 -52.07 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -84.2 132.6 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -151.08 85.19 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.75 -178.73 15.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -114.12 151.41 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -141.45 97.4 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -102.16 142.25 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.702 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.1 t -148.88 -176.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 135.33 48.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.883 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -150.72 149.93 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.834 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -65.09 -31.16 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -149.6 154.15 38.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.46 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -49.65 -31.81 11.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 m -79.77 -47.89 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.64 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -51.14 -39.99 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -35.36 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.61 77.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.798 ' HB3' HD22 ' A' ' 5' ' ' LEU . 22.8 m-85 -66.05 -38.9 89.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -17.34 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -20.63 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.73 -59.23 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.4 -49.08 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -56.99 -32.38 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.94 -3.38 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 55.1 m-80 -116.43 23.02 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.09 43.03 88.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG11 HG23 ' A' ' 7' ' ' ILE . 41.5 t -128.94 130.02 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -161.32 142.4 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.51 -115.48 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 t -92.02 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -135.22 90.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.02 107.29 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.69 138.84 51.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -118.14 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -81.65 1.28 34.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.974 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -64.72 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.552 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 p -101.29 33.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.886 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.38 60.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -111.59 107.31 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.49 101.67 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.68 141.49 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -134.47 99.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.3 140.28 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -139.9 119.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.15 156.26 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' HG22 ' A' ' 17' ' ' THR . 14.1 ttmt -129.0 133.29 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD21 HD11 ' A' ' 7' ' ' ILE . 4.0 tp -109.93 102.72 11.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 179.874 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.427 HG22 ' OE2' ' A' ' 15' ' ' GLU . 97.5 t -93.22 99.75 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 5' ' ' LEU . 60.6 mt -96.44 120.86 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -121.82 70.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.9 145.54 26.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -51.29 -29.67 15.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.4 p -118.65 -43.33 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.99 114.33 27.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -126.86 128.52 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.95 -165.72 21.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE2' HG22 ' A' ' 6' ' ' VAL . 5.4 tt0 -159.22 164.72 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -175.68 176.91 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 4' ' ' LYS . 22.8 p -145.24 158.01 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.589 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 3.3 t -151.95 142.22 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.03 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.769 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -160.07 151.82 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.5 m -52.3 -42.23 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -146.36 -175.09 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.1 53.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -37.17 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.769 HG23 ' HB1' ' A' ' 20' ' ' ALA . 2.9 t -88.93 -29.93 19.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.944 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.47 -51.1 62.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.66 -42.21 61.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -31.8 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -49.47 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' A' ' 18' ' ' THR . 17.3 m-85 -63.52 -39.31 94.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -49.27 -40.64 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -41.61 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.05 -62.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -52.47 -51.43 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -55.76 -57.89 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.25 -23.18 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -89.09 -13.93 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.95 -2.96 72.97 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 69.0 t -95.19 130.85 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -160.62 135.99 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.86 -127.9 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.8 131.74 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -108.32 159.19 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.0 p -141.38 130.53 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.897 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -117.95 124.59 48.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.677 ' OD2' HG22 ' A' ' 49' ' ' THR . 12.2 t0 -128.99 107.01 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -74.89 0.61 15.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.93 -49.22 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' OD2' ' A' ' 46' ' ' ASP . 10.3 t -132.38 29.26 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.904 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.4 mmtt 36.42 44.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 ' OG1' HG23 ' A' ' 49' ' ' THR . 52.8 m -105.97 126.59 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.196 179.94 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -118.94 162.16 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -140.48 137.44 33.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.04 125.91 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.61 -171.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.698 0.285 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 114.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.87 142.3 48.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -110.03 138.87 45.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD22 ' HB3' ' A' ' 30' ' ' PHE . 5.6 tp -117.84 109.06 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -91.75 124.66 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG23 HG11 ' A' ' 39' ' ' VAL . 55.2 mt -101.92 104.25 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.59 53.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.25 -162.86 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -82.33 -55.57 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 p -114.82 -51.5 2.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.01 116.53 8.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -134.46 148.68 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.62 47.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 123.27 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 5' ' ' LEU . 1.6 t -116.97 99.69 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 -179.915 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 p -98.0 143.41 28.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 30' ' ' PHE . 6.8 t -154.56 -174.07 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.602 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -165.32 144.34 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.806 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.11 -41.46 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -154.54 165.39 36.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -62.71 -25.84 68.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.92 -49.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t -90.83 -29.24 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.602 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -64.37 -50.87 66.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.87 -55.24 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.42 58.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.81 -34.44 73.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.781 ' HB3' HD22 ' A' ' 5' ' ' LEU . 57.0 m-85 -77.91 -33.77 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -62.09 -16.31 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -6.4 58.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -92.89 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -48.11 -48.32 33.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -34.41 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -23.37 32.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -89.98 -11.79 40.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.27 17.45 53.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 87.5 t -107.28 121.91 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -143.57 154.66 43.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 -113.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.47 145.57 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -134.07 90.37 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.6 p -109.26 161.07 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.121 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.93 149.19 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -119.09 128.63 54.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -80.97 1.29 31.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.57 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.8 p -101.8 33.8 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.56 63.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.889 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.0 m -111.87 106.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -106.31 132.45 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 m -137.85 153.16 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 5' ' ' LEU . 54.7 t -134.51 104.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 167.88 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -113.26 126.87 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 54.1 m-85 -105.64 152.22 23.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -125.07 128.02 47.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.736 ' HB3' HG23 ' A' ' 16' ' ' THR . 7.8 tp -105.54 109.47 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.1 t -98.07 115.4 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.685 ' CG2' HG11 ' A' ' 39' ' ' VAL . 54.9 mt -98.21 144.81 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.87 77.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 158.32 15.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -76.09 -22.21 55.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.29 9.24 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tp -147.32 125.99 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.97 84.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 -176.07 14.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -129.29 131.18 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -125.12 98.83 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.88 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.0 p -98.72 144.42 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.653 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.0 t -155.9 -176.65 6.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 156.88 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -172.14 145.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -60.01 -39.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -156.49 162.67 39.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -58.7 -26.99 64.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.71 -50.98 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -92.18 -24.02 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.0 -52.81 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -50.12 -48.46 53.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -59.64 -33.26 71.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.72 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.653 ' CZ ' HG22 ' A' ' 18' ' ' THR . 29.9 m-85 -75.16 -34.66 61.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.23 -16.77 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.8 -11.79 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -90.89 -64.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -49.64 -48.18 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 179.902 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.8 -35.03 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -7.46 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -106.1 -9.52 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.79 14.21 58.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG11 ' CG2' ' A' ' 7' ' ' ILE . 86.0 t -104.76 122.33 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -145.95 142.07 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.0 -118.56 0.71 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 55' ' ' THR . 4.5 p -94.83 162.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' N ' HG22 ' A' ' 42' ' ' VAL . 50.3 m95 -140.96 95.12 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -109.67 121.66 45.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.34 141.17 51.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -112.93 120.22 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -76.63 -2.36 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.07 -52.62 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.55 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -108.27 31.37 5.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 -179.876 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 25.39 58.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.16 127.22 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.5 m-85 -115.16 125.89 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 141.78 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 5' ' ' LEU . 63.2 t -134.1 91.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.437 ' HB ' HG12 ' A' ' 42' ' ' VAL . 2.9 m -91.31 133.89 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -152.59 131.64 12.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.46 145.46 48.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.54 129.27 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 54' ' ' VAL . 24.5 tp -104.37 102.51 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.7 105.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt -96.38 136.29 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.04 69.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.86 157.08 29.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.46 -36.55 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.8 p -119.43 -43.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.2 tp -92.27 106.02 18.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -126.04 148.54 49.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.06 -179.49 40.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.2 128.34 47.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -115.24 102.62 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -100.67 140.44 34.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.714 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -154.74 -178.55 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -117.88 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -156.96 147.56 21.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.8 -45.28 99.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -152.24 162.42 41.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -50.85 -30.74 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.51 -49.85 54.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 ' HB1' ' A' ' 20' ' ' ALA . 14.4 t -92.3 -29.45 16.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.49 -52.04 65.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.73 -59.09 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -37.45 39.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 26' ' ' ALA . . . -59.0 -42.85 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CZ ' HG22 ' A' ' 18' ' ' THR . 18.5 m-85 -77.97 -42.32 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -51.49 -50.76 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.17 -23.6 64.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -78.09 -50.8 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.65 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -61.56 -23.94 66.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.49 -25.56 45.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -107.84 32.33 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.71 46.08 47.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.584 ' CG2' HD23 ' A' ' 12' ' ' LEU . 20.8 t -118.43 121.76 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.33 153.19 40.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.06 -129.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.87 151.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -127.97 86.57 2.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 107.97 19.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.935 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.76 146.93 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' OD2' HG22 ' A' ' 49' ' ' THR . 23.6 t0 -120.23 127.72 52.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.92 1.91 37.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.54 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -94.4 -65.84 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.7 t -98.26 33.68 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 27.79 58.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 ' OG1' HG23 ' A' ' 49' ' ' THR . 97.8 m -114.62 128.16 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -122.08 114.48 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 m -107.23 136.55 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG21 HD11 ' A' ' 5' ' ' LEU . 73.9 t -133.34 88.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.882 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -96.6 138.75 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -141.71 120.53 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 26.2 m-85 -99.83 146.69 26.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HD3' HG22 ' A' ' 17' ' ' THR . 1.3 tppm? -99.65 131.41 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' OG1' ' A' ' 16' ' ' THR . 14.9 tp -117.46 106.83 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.7 t -103.53 139.08 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.33 117.01 52.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.56 54.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.7 162.2 27.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -78.43 -25.95 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.88 18.1 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 39' ' ' VAL . 5.8 tp -155.12 120.89 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -142.91 141.32 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.53 -170.53 41.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.28 139.18 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.649 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.57 96.93 4.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.885 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.697 HG22 ' HD3' ' A' ' 4' ' ' LYS . 6.1 p -99.18 148.24 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.603 HG22 ' CE1' ' A' ' 30' ' ' PHE . 8.4 t -159.43 -175.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.6 154.24 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -172.62 151.9 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.35 -38.15 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -156.28 159.55 38.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . . . -55.89 -23.28 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.63 -55.09 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t -89.98 -28.15 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 -179.938 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -65.12 -54.14 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.95 -38.36 50.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -33.58 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 18' ' ' THR . 60.9 m-85 -74.99 -38.06 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -15.46 58.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -15.94 39.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -88.54 -61.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -49.03 -51.03 33.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.07 -30.46 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -85.66 -12.19 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.8 m-80 -112.15 32.35 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.08 49.5 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 13.3 t -125.32 132.51 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -147.25 107.43 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -148.51 -149.86 5.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' VAL . 3.6 t -84.49 161.26 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' N ' HG12 ' A' ' 42' ' ' VAL . 59.8 m95 -126.54 82.17 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.22 104.15 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 143.71 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -109.06 130.16 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.01 0.86 38.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.88 -62.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.571 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -95.48 30.96 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.892 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 22.98 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -127.15 142.34 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.04 119.78 30.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.89 125.44 51.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.3 p -126.48 121.0 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -109.81 115.81 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.97 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.8 125.55 6.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -123.57 147.34 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -108.82 135.62 49.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' OG1' ' A' ' 16' ' ' THR . 43.9 tp -109.28 107.6 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.5 t -102.33 124.45 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.4 mt -104.42 140.23 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.04 65.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.21 162.39 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -26.37 59.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 p -124.23 -51.26 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' ND2' ' A' ' 37' ' ' ASN . 20.1 tp -84.75 127.13 33.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -144.9 149.21 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.66 -175.97 41.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -124.06 140.67 52.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.505 ' OG1' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -129.19 98.61 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.89 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -100.7 141.44 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 30' ' ' PHE . 7.6 t -156.29 -178.69 7.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.19 148.04 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.43 142.11 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.1 -33.85 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.06 155.52 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.17 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.76 -31.33 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -80.33 -33.09 37.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -77.84 -28.77 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.69 -66.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -51.23 -39.26 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -50.94 71.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.1 m-85 -66.06 -39.86 90.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -64.92 -45.07 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -54.83 -40.52 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -74.74 -11.66 60.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.707 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -72.87 -52.02 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -58.98 -45.62 90.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.68 -27.68 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -108.06 13.47 25.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 49.88 45.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.707 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 90.8 t -126.6 116.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.5 160.79 41.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.95 0.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 43' ' ' TRP . 2.4 t -95.97 163.69 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' H ' HG12 ' A' ' 42' ' ' VAL . 58.9 m95 -146.73 94.63 2.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 107.62 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -112.22 131.84 55.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 28.7 t0 -120.01 125.99 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.93 0.75 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -97.29 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.598 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.1 p -98.73 34.79 1.97 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 -179.86 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 19.76 66.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.909 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -114.6 123.45 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -118.9 92.66 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.65 139.9 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.0 t -125.05 104.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 125.18 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 tpp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.82 126.64 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 3.0 m-85 -116.13 171.59 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 17' ' ' THR . 3.4 tttp -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 30' ' ' PHE . 28.1 tp -132.0 100.67 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 53' ' ' THR . 88.3 t -88.23 124.44 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.807 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.83 97.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -106.28 50.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.34 -159.9 11.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.39 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 37.06 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD23 ' CG2' ' A' ' 39' ' ' VAL . 17.3 tp -148.97 115.88 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -129.35 150.99 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.13 168.0 22.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.12 147.14 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 99.35 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.6 p -103.37 140.74 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -160.21 163.69 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.91 153.91 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE1' ' A' ' 3' ' ' TYR . . . -170.24 144.02 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.09 -44.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -150.4 158.75 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -55.54 -24.0 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.8 -47.43 80.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 HG23 ' HB1' ' A' ' 20' ' ' ALA . 10.5 t -85.89 -27.03 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.892 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.797 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -69.94 -38.42 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -51.4 -63.07 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -38.72 60.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.88 -60.14 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.812 ' HB3' HD22 ' A' ' 5' ' ' LEU . 32.4 m-85 -59.15 -35.65 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -38.59 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.4 -37.84 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -73.65 -12.85 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.27 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -52.5 -27.94 18.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -29.99 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.851 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -111.72 25.63 11.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.33 -161.86 44.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.649 ' CG2' HD23 ' A' ' 12' ' ' LEU . 18.7 t 67.85 134.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -166.67 126.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.22 -118.77 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 ' HB ' ' A' ' 55' ' ' THR . 17.2 m -88.7 140.26 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -124.42 96.34 4.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 p -89.97 165.23 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -155.46 140.1 16.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -130.92 119.8 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.15 3.09 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.8 -61.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 50' ' ' LYS . 18.3 p -100.33 32.75 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 27.48 57.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.859 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.6 m -122.13 139.96 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 7.6 m-85 -116.7 -65.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 6' ' ' VAL . 8.8 m 67.73 135.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 54' ' ' VAL . 3.1 p -126.25 110.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.679 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -102.51 165.7 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.996 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' CG ' HG13 ' A' ' 39' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -129.07 111.93 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -107.34 166.27 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -118.84 153.4 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 30' ' ' PHE . 4.9 tp -126.54 101.84 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.2 t -90.15 122.7 41.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.16 130.37 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.07 66.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 -177.24 50.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -50.78 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.41 29.34 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 37' ' ' ASN . 19.9 tp -148.52 112.47 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -129.36 150.14 50.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.0 -179.72 40.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -145.17 161.19 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -158.09 175.63 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 p -140.84 168.96 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -156.09 -170.05 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -145.55 110.15 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.128 ' HB1' HG23 ' A' ' 25' ' ' THR . . . -136.8 156.54 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -86.53 6.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -177.99 150.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.38 -27.83 17.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -56.66 -71.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.128 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.9 t -59.04 -27.98 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.66 -46.51 72.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.65 -56.2 15.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -38.78 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.77 85.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.732 ' HB3' HD22 ' A' ' 5' ' ' LEU . 19.5 m-85 -79.32 -40.56 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -57.34 -46.85 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.59 -31.12 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -74.37 -50.6 17.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -62.11 -49.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.72 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.37 -20.85 36.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.615 ' HB3' HD21 ' A' ' 12' ' ' LEU . 11.2 m120 -107.77 37.75 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.46 43.06 35.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 43.2 t -116.16 130.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -159.45 119.2 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.3 -129.21 1.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 43' ' ' TRP . 20.2 t -90.36 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' N ' HG12 ' A' ' 42' ' ' VAL . 78.3 m95 -129.25 90.32 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -98.37 106.02 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 140.49 49.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 51.5 t0 -117.11 128.14 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -78.49 -0.17 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -92.64 -66.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.583 HG23 ' OG1' ' A' ' 51' ' ' THR . 9.9 t -102.29 33.53 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 24.41 61.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.896 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.583 ' OG1' HG23 ' A' ' 49' ' ' THR . 69.3 m -109.62 106.13 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.06 110.61 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -112.52 146.26 38.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.67 100.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -98.5 123.79 42.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 stop_ save_