data_5uce_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 5uce _Structure_validation_residue.Date_analyzed 2017-08-18 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 . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 73.22 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.23 111.176 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 75.3 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 73.33 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.4 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.4 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.35 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.4 111.136 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.14 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.33 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.05 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.44 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.088 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.34 111.111 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.32 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.43 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.11 110.897 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.15 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.31 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.21 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.24 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 75.4 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.44 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.43 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 73.22 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.32 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.042 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.23 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.14 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 75.3 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 71.5 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 73.33 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.918 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.4 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.35 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 74.4 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 75.02 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.33 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.05 111.067 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.31 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.23 111.167 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.14 111.106 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.34 111.147 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.41 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.23 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.45 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.12 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.43 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.11 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.31 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.21 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.11 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.35 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.1 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.802 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.192 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.53 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.055 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.23 111.151 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.35 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.14 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 75.3 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.5 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.962 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.902 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.4 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.35 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 74.4 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.02 111.12 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.33 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.05 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.44 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.23 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.118 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.14 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.34 111.122 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.32 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.43 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.11 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.31 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.21 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.846 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.24 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.15 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.35 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.1 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.44 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.43 111.161 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 74.53 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 73.22 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.32 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.044 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.138 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.14 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 75.3 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.4 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.35 110.888 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.159 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.02 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 74.3 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.44 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 75.31 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.14 111.187 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.34 111.126 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.44 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.02 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.12 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.43 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.11 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.31 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.21 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.925 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.35 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.1 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.898 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 73.44 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.43 111.089 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 74.53 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 73.22 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.32 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.1 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.14 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 75.3 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 71.5 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.949 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.4 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.35 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 74.4 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.02 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.3 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.05 111.072 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.31 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.154 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.34 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.43 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.11 110.908 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.31 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.21 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.35 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.1 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.43 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.44 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 72.43 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.53 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 73.22 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.092 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.23 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.35 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 72.23 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.14 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 75.3 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 71.5 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.954 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.4 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.35 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.4 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.32 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.33 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.44 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.34 111.193 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.845 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.11 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.31 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.21 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 72.24 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.43 111.133 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 73.44 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.43 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 73.22 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.32 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.919 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.078 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.35 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.14 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 75.3 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 73.33 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.4 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.35 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.33 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.44 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.06 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.34 111.162 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.806 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.494 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.11 110.928 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.31 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.21 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.11 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 72.24 111.145 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.35 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 73.44 111.149 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 72.43 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.53 111.135 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 73.22 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.32 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.1 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.23 111.16 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.35 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.14 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 75.3 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 71.5 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.4 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.35 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.196 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 75.02 111.104 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.05 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.44 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.31 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.34 111.165 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.12 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.43 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.11 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.31 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.21 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.11 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 72.24 111.149 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.35 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.1 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 73.44 111.153 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 73.22 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.32 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.1 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.23 111.141 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.35 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 75.3 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.5 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 74.4 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.4 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.35 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.12 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 75.02 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.3 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.05 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.034 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.34 111.089 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.45 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.12 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.43 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.11 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.31 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.21 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 72.24 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.44 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 73.22 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.32 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.138 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.143 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.35 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.14 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 75.3 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 71.5 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.4 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.35 110.89 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 74.4 111.104 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.02 111.131 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 75.32 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.33 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.05 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.35 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 74.14 111.049 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.34 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.41 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.02 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.43 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.11 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.31 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.21 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.11 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 72.24 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.35 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 73.1 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 75.4 110.911 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 73.44 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 72.43 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 73.22 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.23 111.176 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 75.3 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 73.33 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.4 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.4 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.35 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.4 111.136 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.14 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.33 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.05 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.44 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.088 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.34 111.111 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.32 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.43 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.11 110.897 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.15 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.31 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.21 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 72.24 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 75.4 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.44 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.43 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 73.22 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.32 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.042 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.23 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.14 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 75.3 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 71.5 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 73.33 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.918 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.4 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.35 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 74.4 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 75.02 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.33 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.05 111.067 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.31 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.23 111.167 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.14 111.106 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.34 111.147 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.41 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.23 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.45 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.12 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.43 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.11 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.31 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.21 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.11 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.35 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.1 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.802 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.192 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.53 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 73.22 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.055 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.23 111.151 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.35 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.14 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 75.3 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.5 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.962 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.902 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.4 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.35 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 74.4 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.02 111.12 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.33 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.05 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.44 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.23 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.118 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.14 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.42 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.34 111.122 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.02 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.32 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.43 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.11 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.31 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.21 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.846 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.24 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.15 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.35 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.1 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.44 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 72.43 111.161 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 74.53 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 73.22 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.32 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.044 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.138 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.14 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 75.3 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.4 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.35 110.888 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.159 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.02 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 74.3 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.33 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.35 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.44 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 75.31 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.14 111.187 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.34 111.126 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.44 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.02 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.12 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.43 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.11 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.31 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.21 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.925 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.35 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.1 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.161 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.898 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 73.44 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.43 111.089 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 74.53 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 73.22 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.32 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.1 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.14 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 75.3 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 71.5 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.949 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.4 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.35 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 74.4 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.02 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.3 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.05 111.072 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.31 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.154 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.34 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.43 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.11 110.908 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.31 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.21 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.35 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.13 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.1 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.43 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.44 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 72.43 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.53 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 73.22 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.092 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.23 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.35 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 72.23 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.14 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 75.3 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 71.5 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.954 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.4 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.35 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.4 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 75.32 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.33 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.44 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.105 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.34 111.193 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.845 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.11 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.15 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.31 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.21 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 72.24 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.43 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.43 111.133 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 73.44 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.43 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 74.53 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 73.22 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.32 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.919 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.078 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.35 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.14 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 75.3 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 73.33 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.883 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.4 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.35 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.33 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.44 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.06 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.34 111.162 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.806 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.43 112.494 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.11 110.928 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.31 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.21 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.11 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 72.24 111.145 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.35 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 73.44 111.149 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 72.43 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.53 111.135 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 73.22 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.32 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.1 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.23 111.16 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.35 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.14 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 75.3 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 71.5 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.4 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.35 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.196 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 75.02 111.104 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.05 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.44 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.31 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.34 111.165 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.12 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.43 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.11 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.31 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.21 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.11 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 72.24 111.149 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.35 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.1 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 73.44 111.153 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 73.22 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.32 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.1 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.23 111.141 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.35 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 75.3 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 71.5 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.925 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 74.4 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.4 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.35 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.12 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 75.02 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 74.3 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.05 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.034 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.34 111.089 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.45 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.12 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.43 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.11 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.31 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.21 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 72.24 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.15 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.44 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 73.22 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.32 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.892 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.1 111.138 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.143 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.35 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.14 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 75.3 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 71.5 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.847 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.4 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.35 110.89 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 74.4 111.104 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.02 111.131 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 75.32 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.33 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.05 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.35 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 74.14 111.049 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.34 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.41 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.02 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.43 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.11 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.31 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.21 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.11 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 72.24 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.35 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 73.1 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 75.4 110.911 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 73.44 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 72.43 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 72.239999999999995 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 73.450000000000003 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 6' ' ' ILE . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.150000000000006 111.176 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.140000000000001 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.25 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 62.210000000000001 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.400000000000006 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.349999999999994 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 52.240000000000002 111.136 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 16' ' ' THR . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 61.119999999999997 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.049999999999997 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.439999999999998 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 25.32 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.140000000000001 111.088 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.340000000000003 111.111 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.319999999999993 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.120000000000005 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.430000000000007 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.897 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.150000000000006 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.310000000000002 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.209999999999994 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 62.100000000000001 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.349999999999994 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 50.119999999999997 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 63.210000000000001 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 64.430000000000007 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 51.399999999999999 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 72.239999999999995 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.319999999999993 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 111.042 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.140000000000001 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.119999999999997 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 13' ' ' LYS . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 62.210000000000001 110.918 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.400000000000006 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.349999999999994 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 52.240000000000002 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.030000000000001 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' H ' HG21 ' A' ' 25' ' ' THR . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 111.067 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 25.32 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 21' ' ' VAL . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.230000000000004 111.167 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.140000000000001 111.106 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.420000000000002 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.340000000000003 111.147 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.409999999999997 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.230000000000004 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.019999999999996 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.450000000000003 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.120000000000005 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.430000000000007 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.109999999999999 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.310000000000002 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.209999999999994 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.109999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 62.100000000000001 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.349999999999994 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.802 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 64.430000000000007 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.200000000000003 111.192 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 72.239999999999995 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.882 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.055 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 111.151 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.349999999999994 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 71.099999999999994 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.140000000000001 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 72.129999999999995 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 13' ' ' LYS . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.962 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.902 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.400000000000006 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.349999999999994 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 52.240000000000002 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 111.12 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.329999999999998 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.049999999999997 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 25.32 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.118 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.140000000000001 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.340000000000003 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.430000000000007 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.109999999999999 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.310000000000002 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.846 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.100000000000001 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.150000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 50.119999999999997 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 71.340000000000003 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 63.210000000000001 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.843 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 64.430000000000007 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 43' ' ' TRP . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 111.161 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 51.399999999999999 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 72.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 111.044 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 111.138 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.140000000000001 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.400000000000006 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 16' ' ' THR . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.349999999999994 110.888 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 52.240000000000002 111.159 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 71.030000000000001 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.140000000000001 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 25.32 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.187 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.420000000000002 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.340000000000003 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.019999999999996 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.120000000000005 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.310000000000002 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.430000000000007 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.109999999999999 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.310000000000002 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.209999999999994 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 50.119999999999997 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 63.210000000000001 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' CD1' ' A' ' 6' ' ' ILE . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.161 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.200000000000003 110.898 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 64.430000000000007 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 64.200000000000003 111.089 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 51.399999999999999 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.767 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.430000000000007 110.878 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.099999999999994 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.140000000000001 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 72.129999999999995 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.498 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 111.132 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.349999999999994 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 ' HB2' ' A' ' 4' ' ' LYS . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.17 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 61.119999999999997 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG21 ' A' ' 25' ' ' THR . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.049999999999997 111.072 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 25.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 21' ' ' VAL . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.154 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.140000000000001 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.340000000000003 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.319999999999993 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.120000000000005 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.430000000000007 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 39' ' ' LEU . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.109999999999999 110.908 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 62.100000000000001 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.349999999999994 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 50.119999999999997 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.210000000000001 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.200000000000003 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.200000000000003 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 51.399999999999999 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 72.239999999999995 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.092 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.099999999999994 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.140000000000001 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 63.119999999999997 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.954 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.898 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.400000000000006 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.349999999999994 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.329999999999998 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 25.32 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB3' ' CH2' ' A' ' 43' ' ' TRP . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 72.140000000000001 111.105 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 26' ' ' ALA . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.340000000000003 111.193 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.019999999999996 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.120000000000005 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.430000000000007 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.109999999999999 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.310000000000002 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.209999999999994 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CH2' ' HB3' ' A' ' 26' ' ' ALA . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.912 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.349999999999994 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.340000000000003 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.210000000000001 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 6' ' ' ILE . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.430000000000007 111.133 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.953 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.200000000000003 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 51.399999999999999 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.919 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 111.078 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 55' ' ' THR . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.140000000000001 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.919 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.883 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.400000000000006 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.349999999999994 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 52.240000000000002 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 4' ' ' LYS . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 71.030000000000001 111.205 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.119999999999997 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 25.32 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.06 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 26' ' ' ALA . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.340000000000003 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.319999999999993 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.120000000000005 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.564 ' OD1' HD23 ' A' ' 39' ' ' LEU . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.806 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.430000000000007 112.494 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD23 ' OD1' ' A' ' 37' ' ' ASN . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.109999999999999 110.928 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.150000000000006 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.310000000000002 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.209999999999994 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.109999999999999 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 ' HB ' HG22 ' A' ' 53' ' ' THR . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 62.100000000000001 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.349999999999994 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 50.119999999999997 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 63.210000000000001 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.822 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 44' ' ' THR . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 64.430000000000007 111.149 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 55' ' ' THR . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.399999999999999 111.135 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 12' ' ' LEU . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 72.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.150000000000006 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.099999999999994 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 72.129999999999995 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 63.119999999999997 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.400000000000006 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 111.196 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 16' ' ' THR . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 71.030000000000001 111.104 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 61.119999999999997 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.049999999999997 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 25.32 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 111.103 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.420000000000002 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.340000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.409999999999997 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.019999999999996 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.450000000000003 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.120000000000005 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.430000000000007 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.109999999999999 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.209999999999994 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.109999999999999 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 62.100000000000001 111.149 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.349999999999994 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 50.119999999999997 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' OG1' ' A' ' 44' ' ' THR . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 64.430000000000007 111.153 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 51.399999999999999 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 72.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.150000000000006 111.141 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.349999999999994 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 71.099999999999994 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.140000000000001 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.925 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 62.210000000000001 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.400000000000006 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 16' ' ' THR . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.349999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 52.240000000000002 111.12 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.049999999999997 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.439999999999998 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 25.32 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.140000000000001 111.034 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.420000000000002 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.340000000000003 111.089 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.319999999999993 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.450000000000003 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.430000000000007 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 56' ' ' GLU . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.109999999999999 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.310000000000002 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.209999999999994 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 50.119999999999997 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 64.200000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 51.399999999999999 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 39' ' ' LEU . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 17' ' ' THR . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.892 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.138 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.099999999999994 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.140000000000001 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 72.129999999999995 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 63.119999999999997 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 72.25 110.875 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.210000000000001 110.847 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.400000000000006 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 16' ' ' THR . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.349999999999994 110.89 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 52.240000000000002 111.104 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.792 HG22 ' HB2' ' A' ' 4' ' ' LYS . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 111.131 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 61.119999999999997 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 74.510000000000005 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.049999999999997 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 25.32 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.230000000000004 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.140000000000001 111.049 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.340000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.409999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.319999999999993 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.120000000000005 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 56' ' ' GLU . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.109999999999999 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.310000000000002 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.209999999999994 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.100000000000001 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 50.119999999999997 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.340000000000003 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 63.210000000000001 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 64.200000000000003 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.399999999999999 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 39' ' ' LEU . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 72.239999999999995 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 73.450000000000003 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 6' ' ' ILE . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.150000000000006 111.176 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.140000000000001 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.25 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 62.210000000000001 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.400000000000006 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.349999999999994 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 52.240000000000002 111.136 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 16' ' ' THR . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 61.119999999999997 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.049999999999997 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.439999999999998 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 25.32 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.140000000000001 111.088 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.340000000000003 111.111 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.319999999999993 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.120000000000005 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.430000000000007 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.897 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.150000000000006 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.310000000000002 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.209999999999994 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 62.100000000000001 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.349999999999994 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 50.119999999999997 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 63.210000000000001 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 64.430000000000007 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 51.399999999999999 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 72.239999999999995 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.319999999999993 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 111.042 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.140000000000001 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.119999999999997 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 13' ' ' LYS . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 62.210000000000001 110.918 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.400000000000006 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.349999999999994 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 52.240000000000002 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.030000000000001 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' H ' HG21 ' A' ' 25' ' ' THR . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 111.067 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 25.32 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 21' ' ' VAL . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.230000000000004 111.167 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.140000000000001 111.106 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.420000000000002 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.340000000000003 111.147 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.409999999999997 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.230000000000004 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.019999999999996 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.450000000000003 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.120000000000005 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.430000000000007 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.109999999999999 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.310000000000002 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.209999999999994 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.109999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 62.100000000000001 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.349999999999994 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.802 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 64.430000000000007 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.200000000000003 111.192 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 72.239999999999995 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.882 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.055 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 111.151 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.349999999999994 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 71.099999999999994 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.140000000000001 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 72.129999999999995 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 13' ' ' LYS . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.962 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.902 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.400000000000006 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.349999999999994 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 52.240000000000002 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 111.12 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.329999999999998 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.049999999999997 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 25.32 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.118 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.140000000000001 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.340000000000003 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.430000000000007 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.109999999999999 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.310000000000002 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.846 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.100000000000001 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.150000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 50.119999999999997 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 71.340000000000003 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 63.210000000000001 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.843 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 64.430000000000007 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 43' ' ' TRP . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 111.161 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 51.399999999999999 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 72.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 111.044 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 111.138 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.140000000000001 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.400000000000006 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 16' ' ' THR . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.349999999999994 110.888 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 52.240000000000002 111.159 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 71.030000000000001 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.140000000000001 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 25.32 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.187 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.420000000000002 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.340000000000003 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.019999999999996 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.120000000000005 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.310000000000002 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.430000000000007 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.109999999999999 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.310000000000002 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.209999999999994 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 50.119999999999997 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 63.210000000000001 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' CD1' ' A' ' 6' ' ' ILE . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.161 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.200000000000003 110.898 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 64.430000000000007 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 64.200000000000003 111.089 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 51.399999999999999 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.767 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.430000000000007 110.878 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.099999999999994 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.140000000000001 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 72.129999999999995 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.498 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 111.132 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.349999999999994 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 ' HB2' ' A' ' 4' ' ' LYS . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.17 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 61.119999999999997 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG21 ' A' ' 25' ' ' THR . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.049999999999997 111.072 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 25.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 21' ' ' VAL . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.154 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.140000000000001 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.340000000000003 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.319999999999993 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.120000000000005 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.430000000000007 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 39' ' ' LEU . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.109999999999999 110.908 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 62.100000000000001 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.349999999999994 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 50.119999999999997 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.210000000000001 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.200000000000003 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.200000000000003 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 51.399999999999999 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 72.239999999999995 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.092 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.099999999999994 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.140000000000001 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 63.119999999999997 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.954 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.898 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.400000000000006 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.349999999999994 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.329999999999998 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 25.32 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB3' ' CH2' ' A' ' 43' ' ' TRP . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 72.140000000000001 111.105 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 26' ' ' ALA . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.340000000000003 111.193 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.019999999999996 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.120000000000005 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.430000000000007 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.109999999999999 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.310000000000002 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.209999999999994 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CH2' ' HB3' ' A' ' 26' ' ' ALA . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.912 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.349999999999994 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.340000000000003 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.210000000000001 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 6' ' ' ILE . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.430000000000007 111.133 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.953 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.200000000000003 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 51.399999999999999 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.919 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 111.078 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 55' ' ' THR . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.140000000000001 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.919 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.883 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.400000000000006 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.349999999999994 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 52.240000000000002 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 4' ' ' LYS . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 71.030000000000001 111.205 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.119999999999997 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 25.32 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.06 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 26' ' ' ALA . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.340000000000003 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.319999999999993 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.120000000000005 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.564 ' OD1' HD23 ' A' ' 39' ' ' LEU . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.806 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.430000000000007 112.494 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD23 ' OD1' ' A' ' 37' ' ' ASN . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.109999999999999 110.928 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.150000000000006 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.310000000000002 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.209999999999994 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.109999999999999 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 ' HB ' HG22 ' A' ' 53' ' ' THR . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 62.100000000000001 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.349999999999994 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 50.119999999999997 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 63.210000000000001 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.822 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 44' ' ' THR . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 64.430000000000007 111.149 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 55' ' ' THR . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.399999999999999 111.135 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 12' ' ' LEU . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 72.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.150000000000006 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.099999999999994 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 72.129999999999995 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 63.119999999999997 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.400000000000006 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 111.196 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 16' ' ' THR . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 71.030000000000001 111.104 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 61.119999999999997 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.049999999999997 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 25.32 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 111.103 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.420000000000002 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.340000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.409999999999997 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.019999999999996 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.450000000000003 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.120000000000005 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.430000000000007 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.109999999999999 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.209999999999994 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.109999999999999 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 62.100000000000001 111.149 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.349999999999994 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 50.119999999999997 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' OG1' ' A' ' 44' ' ' THR . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 64.430000000000007 111.153 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 51.399999999999999 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 72.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.150000000000006 111.141 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.349999999999994 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 71.099999999999994 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.140000000000001 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.925 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 62.210000000000001 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.400000000000006 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 16' ' ' THR . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.349999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 52.240000000000002 111.12 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.049999999999997 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.439999999999998 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 25.32 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.140000000000001 111.034 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.420000000000002 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.340000000000003 111.089 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.319999999999993 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.450000000000003 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.430000000000007 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 56' ' ' GLU . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.109999999999999 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.310000000000002 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.209999999999994 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 50.119999999999997 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 64.200000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 51.399999999999999 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 39' ' ' LEU . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 17' ' ' THR . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.892 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.138 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.099999999999994 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.140000000000001 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 72.129999999999995 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 63.119999999999997 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 72.25 110.875 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.210000000000001 110.847 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.400000000000006 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 16' ' ' THR . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.349999999999994 110.89 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 52.240000000000002 111.104 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.792 HG22 ' HB2' ' A' ' 4' ' ' LYS . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 111.131 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 61.119999999999997 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 74.510000000000005 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.049999999999997 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 25.32 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.230000000000004 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.140000000000001 111.049 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.340000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.409999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.319999999999993 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.120000000000005 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 56' ' ' GLU . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.109999999999999 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.310000000000002 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.209999999999994 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.100000000000001 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 50.119999999999997 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.340000000000003 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 63.210000000000001 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 64.200000000000003 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.399999999999999 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 39' ' ' LEU . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 72.239999999999995 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 73.450000000000003 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 6' ' ' ILE . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.150000000000006 111.176 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.140000000000001 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.25 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 62.210000000000001 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.400000000000006 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.349999999999994 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 52.240000000000002 111.136 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 16' ' ' THR . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 61.119999999999997 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.049999999999997 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.439999999999998 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 25.32 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.140000000000001 111.088 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.340000000000003 111.111 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.319999999999993 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.120000000000005 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.430000000000007 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.897 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.150000000000006 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.310000000000002 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.209999999999994 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 62.100000000000001 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.349999999999994 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 50.119999999999997 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 63.210000000000001 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 64.430000000000007 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 51.399999999999999 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 72.239999999999995 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.319999999999993 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 111.042 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.140000000000001 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.119999999999997 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 13' ' ' LYS . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 62.210000000000001 110.918 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.400000000000006 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.349999999999994 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 52.240000000000002 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.030000000000001 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' H ' HG21 ' A' ' 25' ' ' THR . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 111.067 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 25.32 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 21' ' ' VAL . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.230000000000004 111.167 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.140000000000001 111.106 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.420000000000002 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.340000000000003 111.147 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.409999999999997 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.230000000000004 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.019999999999996 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.450000000000003 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.120000000000005 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.430000000000007 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.109999999999999 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.310000000000002 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.209999999999994 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.109999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 62.100000000000001 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.349999999999994 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.802 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 64.430000000000007 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.200000000000003 111.192 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 72.239999999999995 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.882 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.055 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 111.151 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.349999999999994 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 71.099999999999994 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.140000000000001 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 72.129999999999995 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 13' ' ' LYS . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.962 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.902 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.400000000000006 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.349999999999994 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 52.240000000000002 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 111.12 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.329999999999998 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.049999999999997 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 25.32 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.118 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.140000000000001 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.340000000000003 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.430000000000007 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.109999999999999 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.310000000000002 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.846 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.100000000000001 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.150000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 50.119999999999997 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 71.340000000000003 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 63.210000000000001 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.843 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 64.430000000000007 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 43' ' ' TRP . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 111.161 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 51.399999999999999 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 72.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 111.044 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 111.138 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.140000000000001 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.400000000000006 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 16' ' ' THR . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.349999999999994 110.888 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 52.240000000000002 111.159 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 71.030000000000001 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.140000000000001 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 25.32 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.187 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.420000000000002 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.340000000000003 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.019999999999996 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.120000000000005 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.310000000000002 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.430000000000007 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.109999999999999 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.310000000000002 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.209999999999994 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 50.119999999999997 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 63.210000000000001 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' CD1' ' A' ' 6' ' ' ILE . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.161 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.200000000000003 110.898 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 64.430000000000007 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 64.200000000000003 111.089 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 51.399999999999999 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.767 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.430000000000007 110.878 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.099999999999994 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.140000000000001 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 72.129999999999995 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.498 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 111.132 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.349999999999994 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 ' HB2' ' A' ' 4' ' ' LYS . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.17 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 61.119999999999997 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG21 ' A' ' 25' ' ' THR . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.049999999999997 111.072 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 25.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 21' ' ' VAL . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.154 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.140000000000001 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.340000000000003 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.319999999999993 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.120000000000005 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.430000000000007 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 39' ' ' LEU . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.109999999999999 110.908 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 62.100000000000001 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.349999999999994 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 50.119999999999997 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.210000000000001 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.200000000000003 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.200000000000003 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 51.399999999999999 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 72.239999999999995 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.092 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.099999999999994 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.140000000000001 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 63.119999999999997 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.954 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.898 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.400000000000006 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.349999999999994 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.329999999999998 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 25.32 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB3' ' CH2' ' A' ' 43' ' ' TRP . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 72.140000000000001 111.105 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 26' ' ' ALA . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.340000000000003 111.193 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.019999999999996 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.120000000000005 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.430000000000007 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.109999999999999 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.310000000000002 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.209999999999994 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CH2' ' HB3' ' A' ' 26' ' ' ALA . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.912 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.349999999999994 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.340000000000003 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.210000000000001 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 6' ' ' ILE . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.430000000000007 111.133 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.953 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.200000000000003 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 51.399999999999999 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.919 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 111.078 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 55' ' ' THR . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.140000000000001 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.919 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.883 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.400000000000006 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.349999999999994 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 52.240000000000002 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 4' ' ' LYS . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 71.030000000000001 111.205 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.119999999999997 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 25.32 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.06 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 26' ' ' ALA . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.340000000000003 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.319999999999993 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.120000000000005 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.564 ' OD1' HD23 ' A' ' 39' ' ' LEU . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.806 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.430000000000007 112.494 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD23 ' OD1' ' A' ' 37' ' ' ASN . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.109999999999999 110.928 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.150000000000006 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.310000000000002 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.209999999999994 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.109999999999999 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 ' HB ' HG22 ' A' ' 53' ' ' THR . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 62.100000000000001 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.349999999999994 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 50.119999999999997 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 63.210000000000001 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.822 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 44' ' ' THR . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 64.430000000000007 111.149 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 55' ' ' THR . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.399999999999999 111.135 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 12' ' ' LEU . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 72.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.150000000000006 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.099999999999994 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 72.129999999999995 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 63.119999999999997 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.400000000000006 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 111.196 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 16' ' ' THR . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 71.030000000000001 111.104 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 61.119999999999997 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.049999999999997 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 25.32 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 111.103 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.420000000000002 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.340000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.409999999999997 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.019999999999996 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.450000000000003 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.120000000000005 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.430000000000007 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.109999999999999 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.209999999999994 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.109999999999999 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 62.100000000000001 111.149 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.349999999999994 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 50.119999999999997 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' OG1' ' A' ' 44' ' ' THR . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 64.430000000000007 111.153 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 51.399999999999999 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 72.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.150000000000006 111.141 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.349999999999994 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 71.099999999999994 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.140000000000001 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.925 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 62.210000000000001 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.400000000000006 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 16' ' ' THR . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.349999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 52.240000000000002 111.12 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.049999999999997 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.439999999999998 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 25.32 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.140000000000001 111.034 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.420000000000002 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.340000000000003 111.089 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.319999999999993 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.450000000000003 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.430000000000007 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 56' ' ' GLU . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.109999999999999 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.310000000000002 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.209999999999994 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 50.119999999999997 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 64.200000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 51.399999999999999 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 39' ' ' LEU . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 17' ' ' THR . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.892 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.138 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.099999999999994 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.140000000000001 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 72.129999999999995 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 63.119999999999997 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 72.25 110.875 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.210000000000001 110.847 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.400000000000006 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 16' ' ' THR . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.349999999999994 110.89 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 52.240000000000002 111.104 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.792 HG22 ' HB2' ' A' ' 4' ' ' LYS . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 111.131 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 61.119999999999997 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 74.510000000000005 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.049999999999997 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 25.32 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.230000000000004 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.140000000000001 111.049 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.340000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.409999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.319999999999993 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.120000000000005 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 56' ' ' GLU . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.109999999999999 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.310000000000002 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.209999999999994 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.100000000000001 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 50.119999999999997 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.340000000000003 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 63.210000000000001 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 64.200000000000003 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.399999999999999 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 39' ' ' LEU . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 72.239999999999995 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m -58.26 147.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.133 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -147.0 171.16 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 73.450000000000003 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 6' ' ' ILE . 18.7 tttt -142.82 106.92 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.18 134.33 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.132 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.4 mp -112.9 140.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 71.150000000000006 111.176 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.8 135.75 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.18 121.85 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.86 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.63 -177.6 21.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 72.140000000000001 112.421 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -51.29 -47.81 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 72.129999999999995 110.909 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 p -140.31 27.41 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.119999999999997 111.122 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.12 130.01 50.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.25 110.9 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -80.07 168.82 18.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 62.210000000000001 110.871 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.03 145.11 7.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 65.400000000000006 112.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -178.03 121.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 71.349999999999994 110.898 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -159.79 179.69 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 52.240000000000002 111.136 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 16' ' ' THR . 43.7 p -147.86 161.74 40.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -171.63 154.99 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 61.119999999999997 111.083 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.56 146.4 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.17 142.0 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 71.329999999999998 111.093 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -94.12 -34.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.049999999999997 111.168 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.47 171.43 12.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.87 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.11 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 70.439999999999998 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.64 -31.43 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 25.32 111.168 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.1 m -50.85 -40.88 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.178 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -28.17 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.140000000000001 111.088 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.13 -32.01 61.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -83.48 -28.17 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -82.52 -23.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 45.340000000000003 111.111 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.41 -28.94 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.849 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -25.34 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.888 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.88 -25.83 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.903 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -84.41 -38.18 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.971 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.09 -29.18 43.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 75.319999999999993 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.64 -23.95 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 74.450000000000003 110.869 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -51.99 -47.32 64.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.120000000000005 110.914 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.4 -20.93 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.877 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.11 37.49 55.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 75.430000000000007 112.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -89.79 169.69 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.897 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -126.2 26.61 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.150000000000006 110.904 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -176.9 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 70.310000000000002 112.487 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.16 163.77 19.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 75.209999999999994 110.921 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.2 p-90 -128.56 135.07 48.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.843 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -95.31 160.74 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 62.100000000000001 111.129 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -116.04 112.33 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.44 91.35 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 75.349999999999994 110.905 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -24.49 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.903 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -33.67 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 50.119999999999997 111.122 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 t -126.05 -4.27 6.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 111.088 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mptt 63.28 53.02 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 63.210000000000001 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -146.83 131.34 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -101.82 128.74 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -94.4 128.22 40.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 64.430000000000007 111.146 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.68 146.13 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.32 108.82 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 51.399999999999999 111.191 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.831 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.818 0.342 . . . . 72.239999999999995 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 m -52.34 143.1 15.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.319999999999993 111.087 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -146.84 171.18 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -149.18 106.91 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.898 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -98.85 126.84 44.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 111.042 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.43 140.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 111.192 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.06 144.91 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.133 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -151.25 148.34 28.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.96 174.95 20.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 72.140000000000001 112.455 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -50.73 -44.45 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 p -140.63 27.38 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.119999999999997 111.178 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' H ' ' A' ' 13' ' ' LYS . 21.1 tp -129.6 147.61 51.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.66 170.58 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 62.210000000000001 110.918 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.21 137.7 4.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 65.400000000000006 112.446 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -177.54 116.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.423 . . . . 71.349999999999994 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -160.43 145.86 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 52.240000000000002 111.18 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -107.63 158.67 17.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.030000000000001 111.123 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -172.0 131.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 111.192 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -72.5 146.27 46.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.36 139.86 30.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 111.055 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' H ' HG21 ' A' ' 25' ' ' THR . 99.9 t -73.93 -45.41 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 111.067 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.02 -177.21 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.896 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -21.02 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.12 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -34.1 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 25.32 111.028 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 21' ' ' VAL . 97.7 m -51.14 -40.85 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.230000000000004 111.167 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.97 -24.8 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.140000000000001 111.106 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -78.09 -34.4 50.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 110.938 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -82.88 -24.47 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 75.420000000000002 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.7 p -85.45 -23.27 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 45.340000000000003 111.147 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -24.94 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 75.409999999999997 110.942 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -29.56 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 74.230000000000004 110.952 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 74.439999999999998 110.957 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -73.79 -46.38 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.019999999999996 110.92 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -55.3 -29.39 58.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -76.61 -25.68 54.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.450000000000003 110.907 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.65 -33.56 64.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 65.120000000000005 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -97.31 -20.97 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.39 20.57 69.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 75.430000000000007 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.8 mt -104.81 147.81 27.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 75.109999999999999 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.45 108.98 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.891 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.57 178.74 24.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 70.310000000000002 112.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.36 159.31 20.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 75.209999999999994 110.877 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 15.2 p-90 -128.99 135.15 48.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 72.109999999999999 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -91.59 161.09 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 62.100000000000001 111.139 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -120.56 111.68 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.881 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.28 91.87 3.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 75.349999999999994 110.864 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -22.9 58.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.932 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.06 -28.81 59.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.076 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -129.6 -1.23 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.148 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 60.37 48.9 7.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -146.91 141.1 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.132 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.8 m-85 -110.79 145.17 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.802 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -114.07 130.64 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 64.430000000000007 111.117 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 93.6 t -134.36 144.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 64.200000000000003 111.192 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.5 p -147.29 141.11 25.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 51.399999999999999 111.155 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.5 110.887 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.851 0.358 . . . . 72.239999999999995 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.12 45.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.115 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -146.9 156.43 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.23 106.81 11.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.882 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -97.41 120.6 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.055 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD11 ' HG2' ' A' ' 4' ' ' LYS . 3.6 mp -96.49 141.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 111.151 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 143.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 73.349999999999994 111.15 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.91 150.27 30.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 71.099999999999994 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.02 -176.2 14.27 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 72.140000000000001 112.515 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -50.9 -50.55 57.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 72.129999999999995 110.895 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -140.68 27.63 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 111.177 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 13' ' ' LYS . 1.3 tt -117.59 155.2 30.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.962 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD23 ' A' ' 12' ' ' LEU . 13.8 mtpt -108.76 141.86 40.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.902 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.64 144.97 13.11 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.687 -0.768 . . . . 65.400000000000006 112.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -177.99 121.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 71.349999999999994 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -169.03 164.67 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 52.240000000000002 111.107 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -107.37 169.16 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 111.12 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -171.11 126.86 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 111.135 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -83.39 137.34 33.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.911 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.39 162.8 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.329999999999998 111.083 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 p -122.68 -34.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.049999999999997 111.178 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.56 172.16 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.798 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.07 68.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 111.098 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.58 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 25.32 111.084 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -63.15 -39.71 95.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.178 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.55 -21.98 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.118 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.65 -39.83 21.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.140000000000001 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -38.18 69.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.8 p -56.62 -23.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 45.340000000000003 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 10.7 m-85 -77.04 -23.43 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.23 -59.09 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.89 -17.82 65.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.971 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -84.7 -50.34 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.935 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -58.27 -25.15 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 75.319999999999993 110.89 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.49 -21.07 59.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.52 -43.91 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -20.98 30.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.45 18.76 78.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 75.430000000000007 112.453 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.87 173.29 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 75.109999999999999 110.903 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.75 157.21 45.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 110.879 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.86 18.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 70.310000000000002 112.419 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -117.56 156.88 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 75.209999999999994 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.14 136.13 49.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.846 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -86.67 160.77 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.100000000000001 111.153 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -126.02 98.76 5.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.150000000000006 110.904 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.07 91.13 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -24.76 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.848 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.43 -29.66 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 50.119999999999997 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 p -125.8 -4.83 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 71.340000000000003 111.148 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.2 mptt 63.66 50.3 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 63.210000000000001 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -146.87 141.64 26.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 10.4 m-85 -115.74 125.11 52.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.843 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 p -94.48 132.57 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 64.430000000000007 111.131 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 43' ' ' TRP . 67.7 t -134.41 145.84 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 111.161 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.54 101.63 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 51.399999999999999 111.204 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.5 110.95 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 72.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -98.37 142.03 30.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 111.118 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -146.98 164.24 33.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.885 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.11 126.19 43.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -120.24 116.79 26.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 111.044 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.6 mp -95.16 141.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 111.138 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.35 138.86 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.127 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.07 144.45 24.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.927 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.7 -162.7 11.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 72.140000000000001 112.518 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.91 -44.89 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 p -141.08 27.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.1 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.86 136.11 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -88.77 173.75 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.927 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.12 144.39 7.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 65.400000000000006 112.486 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 16' ' ' THR . 6.4 pt-20 -173.5 121.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 71.349999999999994 110.888 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -166.5 159.29 14.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 52.240000000000002 111.159 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.13 157.77 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 71.030000000000001 111.145 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -160.19 126.59 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -73.95 140.28 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.882 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.87 156.43 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.142 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -119.62 -31.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.102 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.25 173.87 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.140000000000001 110.919 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.18 -26.58 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 111.065 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.39 -25.37 25.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 25.32 111.084 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -40.02 95.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 111.118 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.21 -22.2 38.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.187 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -82.34 -38.78 23.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -38.81 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.420000000000002 110.915 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 26' ' ' ALA . 5.2 p -55.86 -22.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 45.340000000000003 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -72.29 -22.85 61.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -32.65 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.856 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -87.81 -32.51 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.871 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.42 -53.32 24.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 74.019999999999996 110.887 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -54.67 -32.72 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.01 -21.96 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -52.19 -47.28 65.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.120000000000005 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -107.8 -20.89 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.310000000000002 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.72 23.34 39.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 75.430000000000007 112.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.82 173.19 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 75.109999999999999 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.42 150.74 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 74.150000000000006 110.831 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.95 -155.07 7.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 70.310000000000002 112.457 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -117.02 147.23 42.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 75.209999999999994 110.914 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' HA ' HG22 ' A' ' 54' ' ' VAL . 14.0 p-90 -129.1 135.34 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.925 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -85.15 160.76 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -126.6 98.54 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.89 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.85 89.85 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.96 -24.98 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.953 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.58 -29.55 59.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 50.119999999999997 111.152 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.7 p -127.18 -3.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 111.175 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.15 53.49 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 63.210000000000001 110.883 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.483 HG23 ' CD1' ' A' ' 6' ' ' ILE . 29.9 m -146.84 141.61 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.161 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 12.0 m-85 -118.68 123.93 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.200000000000003 110.898 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 p -95.28 132.47 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 64.430000000000007 111.14 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 43' ' ' TRP . 58.9 t -134.73 146.67 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 64.200000000000003 111.089 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -153.66 132.06 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 51.399999999999999 111.163 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.883 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -56.22 129.3 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 111.159 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -146.97 159.27 43.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.450000000000003 110.847 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.767 ' HB2' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -123.5 155.92 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.430000000000007 110.878 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.46 121.17 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.099999999999994 111.107 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.36 139.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 111.11 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 131.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -151.24 116.7 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.099999999999994 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.08 -162.87 24.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 72.140000000000001 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -55.73 -53.12 60.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 72.129999999999995 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.498 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 m -140.15 27.47 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 111.132 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 11' ' ' THR . 0.3 OUTLIER -120.52 129.75 53.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.949 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.76 169.65 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 62.210000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.66 138.09 3.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 65.400000000000006 112.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.89 115.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 71.349999999999994 110.907 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -165.64 165.65 18.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.767 HG22 ' HB2' ' A' ' 4' ' ' LYS . 20.5 p -132.97 162.11 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 111.17 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -172.07 140.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 61.119999999999997 111.11 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -71.4 146.23 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.64 131.03 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 111.095 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' H ' HG21 ' A' ' 25' ' ' THR . 98.5 t -67.11 -45.0 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.049999999999997 111.072 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -142.97 -178.02 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.47 -21.53 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.3 -36.17 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 25.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 21' ' ' VAL . 96.4 m -50.57 -46.52 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.154 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.65 -28.23 65.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 111.138 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -76.53 -37.21 57.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 71.140000000000001 110.865 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -67.87 -30.83 70.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.11 -29.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 45.340000000000003 111.158 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -33.97 61.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.836 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -31.3 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.894 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -87.65 -32.92 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.47 -50.2 54.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.923 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -36.0 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 75.319999999999993 110.894 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -56.87 -25.33 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.856 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -66.77 -28.05 68.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 65.120000000000005 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.3 -21.03 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.01 18.89 78.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 75.430000000000007 112.492 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 39' ' ' LEU . 4.2 mm? -122.36 173.01 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.34 . . . . 75.109999999999999 110.908 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -126.34 120.11 29.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.896 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.92 -146.41 5.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.505 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -152.7 154.49 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 18.6 p-90 -128.88 134.59 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.944 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 p -88.75 169.96 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 62.100000000000001 111.142 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -129.46 109.77 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.150000000000006 110.926 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.53 90.31 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 75.349999999999994 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -24.75 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.874 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.25 -32.3 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 50.119999999999997 111.089 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -124.4 -4.67 7.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 111.159 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 mptt 63.95 52.13 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 63.210000000000001 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 m -146.67 142.87 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.179 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.63 129.1 56.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.200000000000003 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.41 124.96 38.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.17 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.56 145.02 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.200000000000003 111.15 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 p -149.49 140.85 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 51.399999999999999 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.871 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.838 0.352 . . . . 72.239999999999995 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -106.71 140.67 39.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -147.03 165.56 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.837 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.01 106.81 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.518 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -97.19 128.47 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.092 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 mp -105.58 138.65 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.72 146.28 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 111.135 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -151.35 143.76 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.099999999999994 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.67 -174.42 13.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.679 -0.772 . . . . 72.140000000000001 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -51.23 -51.73 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.67 27.64 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 63.119999999999997 111.169 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.3 pp -125.25 134.48 52.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.954 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -82.19 168.93 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 62.210000000000001 110.898 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.65 131.14 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 65.400000000000006 112.492 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -174.97 114.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 71.349999999999994 110.938 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -159.6 155.0 25.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 52.240000000000002 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 p -107.46 163.32 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.065 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 t -168.5 128.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 111.156 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.62 134.42 45.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.25 162.69 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 71.329999999999998 111.119 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.57 -43.39 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.139 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.5 -179.67 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.882 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 70.439999999999998 111.093 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.37 -34.26 20.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 25.32 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -50.29 -44.02 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 111.125 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB3' ' CH2' ' A' ' 43' ' ' TRP . . . -74.12 -26.02 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 72.140000000000001 111.105 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.77 -32.41 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.09 -28.32 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 26' ' ' ALA . 9.5 p -85.66 -25.82 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 45.340000000000003 111.193 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HZ ' ' HB1' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -72.55 -46.21 55.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 110.845 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -52.57 -37.28 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.91 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.43 -27.49 60.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -80.2 -38.18 31.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 74.019999999999996 110.875 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -55.72 -28.61 56.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.24 -23.75 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.847 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.38 -47.17 51.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.120000000000005 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -82.54 -20.93 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.92 18.77 74.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 75.430000000000007 112.475 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -111.85 172.12 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 75.109999999999999 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.44 119.24 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.150000000000006 110.855 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.06 -153.82 6.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.761 -0.733 . . . . 70.310000000000002 112.517 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -119.64 152.82 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 75.209999999999994 110.918 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CH2' ' HB3' ' A' ' 26' ' ' ALA . 17.1 p-90 -129.17 134.19 47.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.912 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 p -89.15 170.2 10.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.089 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -135.44 104.19 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.9 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.43 90.57 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.349999999999994 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.16 -23.97 62.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.28 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 50.119999999999997 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -126.9 -2.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.340000000000003 111.154 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.46 48.72 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.210000000000001 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 6' ' ' ILE . 24.1 m -146.74 141.21 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 73.430000000000007 111.133 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 5.2 m-85 -113.11 145.23 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.953 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -117.34 130.12 56.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.119 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.52 144.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.200000000000003 111.107 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 m -149.05 141.1 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 51.399999999999999 111.13 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.92 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 m -116.49 143.44 45.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.201 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -146.46 170.95 15.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.5 ttmt -140.5 107.13 5.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.919 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -99.37 119.92 38.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 111.078 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.86 140.07 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 111.088 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.38 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 111.181 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' HG22 ' A' ' 55' ' ' THR . 9.6 m-20 -151.43 117.51 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.11 -172.69 26.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 72.140000000000001 112.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -51.72 -50.38 60.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.852 0.358 . . . . 72.129999999999995 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -140.4 27.53 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.4 pp -123.01 133.43 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 72.25 110.919 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.6 mppt? -80.32 170.53 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.883 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.35 1.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 65.400000000000006 112.516 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.91 114.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.017 0.437 . . . . 71.349999999999994 110.862 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -169.43 155.58 6.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 52.240000000000002 111.111 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 4' ' ' LYS . 29.4 p -107.45 172.33 6.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 71.030000000000001 111.205 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -163.17 154.81 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 61.119999999999997 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -94.76 126.54 40.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.38 164.3 27.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 71.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.0 -45.52 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -135.78 -178.65 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.66 66.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.18 -33.53 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 25.32 111.112 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.9 m -50.92 -42.02 59.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 111.11 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -77.89 -24.72 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.06 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -78.28 -33.66 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 71.140000000000001 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -82.79 -25.05 33.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 26' ' ' ALA . 3.4 p -85.77 -23.28 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 45.340000000000003 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.86 -27.08 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.897 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -26.5 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 110.912 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -87.4 -26.53 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -80.31 -41.71 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.889 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -54.97 -28.8 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.319999999999993 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.24 -25.78 67.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.85 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.57 -47.3 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 65.120000000000005 110.858 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.564 ' OD1' HD23 ' A' ' 39' ' ' LEU . 25.5 t-20 -97.17 -20.9 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.806 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 81.96 23.81 56.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.430000000000007 112.494 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD23 ' OD1' ' A' ' 37' ' ' ASN . 3.9 mm? -123.39 127.34 48.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 75.109999999999999 110.928 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -88.6 64.68 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.150000000000006 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.75 -177.37 18.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 70.310000000000002 112.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.22 149.41 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 75.209999999999994 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.1 134.86 48.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 72.109999999999999 110.933 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 ' HB ' HG22 ' A' ' 53' ' ' THR . 3.0 m -89.17 160.87 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 62.100000000000001 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -122.38 98.92 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.89 90.98 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 75.349999999999994 110.795 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -24.54 59.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.815 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.61 -29.88 59.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 50.119999999999997 111.111 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 p -127.04 -2.96 6.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 111.067 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.99 49.45 5.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 63.210000000000001 110.899 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -146.79 140.9 26.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 111.131 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.9 m-85 -112.65 146.04 39.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.200000000000003 110.822 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.434 HG22 ' HB ' ' A' ' 44' ' ' THR . 1.7 t -111.05 124.52 52.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 64.430000000000007 111.149 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 55' ' ' THR . 95.0 t -134.28 143.35 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.9 p -157.05 126.75 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.399999999999999 111.135 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' CD ' HD21 ' A' ' 12' ' ' LEU . 7.6 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 65.5 110.832 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.903 0.382 . . . . 72.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.1 m -110.36 139.94 45.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 111.163 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -146.96 171.12 15.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.858 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -140.51 107.02 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.892 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 134.43 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 111.101 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -109.85 140.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 71.150000000000006 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.31 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.074 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -151.02 118.82 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.099999999999994 110.926 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.14 -177.6 24.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.507 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -47.38 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 72.129999999999995 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -140.46 27.39 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 63.119999999999997 111.123 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -125.8 132.77 52.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.89 173.67 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 62.210000000000001 110.935 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.6 132.97 1.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 65.400000000000006 112.457 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.92 114.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.86 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -160.75 166.75 28.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 111.196 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.426 ' H ' HG22 ' A' ' 16' ' ' THR . 25.5 p -116.78 164.66 14.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 71.030000000000001 111.104 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -170.78 148.95 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 61.119999999999997 111.14 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.65 143.22 27.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 175.0 9.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.196 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -116.31 -43.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.049999999999997 111.141 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -139.87 -178.66 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.75 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.439999999999998 111.032 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.94 -35.17 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 25.32 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -50.89 -42.44 59.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.11 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -78.33 -24.29 46.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.140000000000001 111.103 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -77.57 -35.29 53.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.832 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -24.25 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.420000000000002 110.856 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.4 p -85.6 -23.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 45.340000000000003 111.165 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -47.16 24.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 75.409999999999997 110.815 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -50.74 -41.53 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.867 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.65 -38.29 71.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.963 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -84.66 -25.47 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.019999999999996 110.874 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.6 -23.3 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.26 -23.71 43.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.450000000000003 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.46 -29.88 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 65.120000000000005 110.84 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.52 -20.87 15.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.868 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.49 19.56 62.53 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 75.430000000000007 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.58 173.18 7.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 75.109999999999999 110.872 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -172.29 173.06 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.842 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.87 -100.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.534 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.06 144.26 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 75.209999999999994 110.833 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 1.223 ' HZ3' ' CE1' ' A' ' 52' ' ' PHE . 11.3 p-90 -129.11 136.93 50.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.109999999999999 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER -110.9 154.51 23.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 62.100000000000001 111.149 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -116.43 119.54 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.58 90.53 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 75.349999999999994 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -25.09 60.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.914 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -29.61 59.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 50.119999999999997 111.1 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -125.89 -5.0 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.176 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm 64.37 48.86 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 m -146.84 141.44 26.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.082 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.223 ' CE1' ' HZ3' ' A' ' 43' ' ' TRP . 13.7 m-85 -111.74 140.67 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.922 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' OG1' ' A' ' 44' ' ' THR . 2.2 t -107.25 125.44 51.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 64.430000000000007 111.153 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.53 144.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 111.158 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -114.39 101.05 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 51.399999999999999 111.076 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.5 110.964 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.341 . . . . 72.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 m -107.13 143.7 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 111.116 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -146.64 171.13 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 106.85 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.64 128.91 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -102.56 140.72 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 71.150000000000006 111.141 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -124.08 137.08 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.349999999999994 111.162 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -151.07 119.96 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 71.099999999999994 110.827 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.05 -166.68 24.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 72.140000000000001 112.524 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -51.63 -54.59 26.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p -140.4 27.41 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -120.88 132.16 54.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.925 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 166.92 21.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 62.210000000000001 110.9 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.49 142.25 7.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 65.400000000000006 112.556 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 16' ' ' THR . 12.9 pt-20 -177.76 118.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 71.349999999999994 110.913 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -163.96 146.16 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 52.240000000000002 111.12 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 p -107.39 166.49 10.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 111.143 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -170.73 134.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 111.139 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -81.71 143.13 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.28 179.99 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.051 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.17 -44.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.049999999999997 111.103 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -128.12 176.71 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 110.878 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.44 67.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 70.439999999999998 111.12 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.5 -32.14 20.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 25.32 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.9 m -51.45 -39.77 58.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 111.161 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -80.6 -27.73 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.140000000000001 111.034 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -74.74 -33.88 62.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.88 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -26.0 30.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.420000000000002 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.0 p -83.91 -23.16 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 45.340000000000003 111.089 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.15 -25.73 20.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.39 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.897 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -87.6 -32.81 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -67.49 -49.68 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -34.11 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.319999999999993 110.879 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -55.33 -26.32 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.450000000000003 110.903 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.12 -31.79 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.968 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -90.51 -20.79 22.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.37 18.38 75.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 75.430000000000007 112.568 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 56' ' ' GLU . 8.5 tp -116.45 166.35 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 75.109999999999999 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -114.18 113.55 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.843 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.9 -176.81 14.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 70.310000000000002 112.512 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -122.61 157.85 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 75.209999999999994 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -129.01 134.6 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.957 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.5 p -91.12 155.16 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 111.123 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -117.83 99.95 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.150000000000006 110.939 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -115.94 88.56 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.349999999999994 110.823 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.49 -25.03 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.786 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.33 -30.03 59.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 50.119999999999997 111.127 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 p -124.05 -7.71 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.072 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mptt 63.64 49.55 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 110.898 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -146.95 137.41 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.6 130.17 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.858 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -94.23 128.04 40.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.141 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.7 144.56 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 64.200000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.61 102.11 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 51.399999999999999 111.107 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 39' ' ' LEU . 12.9 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.5 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.896 0.379 . . . . 72.239999999999995 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.4 m -106.92 129.11 54.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -146.87 154.33 41.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.849 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 17' ' ' THR . 9.6 ptpt -117.65 154.24 31.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.892 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 52' ' ' PHE . . . -141.42 109.88 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 111.138 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -84.93 139.9 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.33 143.66 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 111.117 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -151.09 152.39 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 71.099999999999994 110.876 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.18 -175.61 13.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.140000000000001 112.542 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.36 -50.05 60.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 72.129999999999995 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -140.49 27.53 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 63.119999999999997 111.172 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 13' ' ' LYS . 1.2 pp -127.84 139.3 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 72.25 110.875 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -89.5 172.64 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.210000000000001 110.847 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.1 147.93 11.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.824 -0.703 . . . . 65.400000000000006 112.565 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 16' ' ' THR . 3.6 pt-20 -177.89 122.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 71.349999999999994 110.89 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -174.89 155.31 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 52.240000000000002 111.104 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.792 HG22 ' HB2' ' A' ' 4' ' ' LYS . 18.7 p -121.78 174.8 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 111.131 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -172.01 144.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 61.119999999999997 111.154 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.84 144.79 36.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 74.510000000000005 110.848 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.58 170.09 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 111.073 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.88 -42.67 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 75.049999999999997 111.211 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.19 179.61 6.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.2 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.439999999999998 111.118 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.56 -35.08 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 25.32 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.3 m -50.91 -38.24 48.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 73.230000000000004 111.153 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 29' ' ' VAL . . . -81.15 -27.69 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.140000000000001 111.049 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.84 -33.34 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.893 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -25.94 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.933 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 26' ' ' ALA . 2.6 p -84.36 -24.74 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.340000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -89.89 -22.96 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.409999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -31.89 25.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.883 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -87.53 -27.49 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -73.27 -47.04 46.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -53.86 -33.86 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 75.319999999999993 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -58.69 -24.21 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -51.96 -47.34 64.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 65.120000000000005 110.885 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -78.68 -20.93 49.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.913 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -7.29 64.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.498 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 56' ' ' GLU . 8.7 tp -123.17 140.49 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 75.109999999999999 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -113.63 78.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.899 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.45 -113.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 70.310000000000002 112.481 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -152.83 154.74 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 75.209999999999994 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -128.68 144.8 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -100.22 151.77 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.100000000000001 111.138 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -118.99 98.85 6.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 110.934 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.22 89.77 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.349999999999994 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.64 -25.02 63.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.24 -33.4 41.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 50.119999999999997 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 t -125.81 -4.28 7.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.340000000000003 111.224 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.29 52.73 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 63.210000000000001 110.904 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 m -143.71 142.51 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 111.135 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' HD2' ' HB2' ' A' ' 5' ' ' ALA . 8.4 m-85 -116.65 128.66 55.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -94.3 131.22 40.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 64.430000000000007 111.143 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -134.57 144.62 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 64.200000000000003 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.17 141.18 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.399999999999999 111.195 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 39' ' ' LEU . 3.7 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 65.5 110.865 -179.957 . . . . . . . . 1 1 . 1 stop_ save_