data_2jqk_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 2jqk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.2 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.1 110.871 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.3 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.4 110.866 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.989 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.3 110.816 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 70.3 111.114 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.4 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.4 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.839 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.3 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 65.1 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.2 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 62.4 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CD1' HD21 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.2 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.887 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.837 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.175 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.028 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.3 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 61.3 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.5 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 74.2 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.4 111.02 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.3 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 42.4 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.3 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 73.2 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.4 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.3 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.2 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 75.3 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.4 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.3 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.852 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 64.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.3 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.3 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 54.2 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.1 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.1 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.2 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.4 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.1 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.959 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.4 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.864 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.126 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.923 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.4 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' CD1' ' CG1' ' A' ' 47' ' ' VAL . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 72.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 64.3 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.031 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.762 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 64.4 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.2 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.4 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.3 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 75.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.832 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.1 111.1 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.912 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.867 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.889 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.1 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.939 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG1' ' CD1' ' A' ' 11' ' ' LEU . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.3 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.2 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.3 111.146 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.4 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.2 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.4 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.1 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.2 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.4 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 73.2 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.4 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.1 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.2 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.5 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.072 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.871 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.4 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 74.4 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 75.2 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.2 111.15 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.2 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.858 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.85 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.3 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.1 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.859 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.135 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 64.3 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.5 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 54.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.4 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.893 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.3 111.112 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.1 111.043 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 53.3 110.89 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.936 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.2 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 64.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.1 111.162 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.4 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.2 110.486 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 71.4 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.5 111.205 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.4 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 75.1 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.3 110.885 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.1 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.2 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.88 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 73.4 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.4 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.3 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.2 111.186 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.3 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.916 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.886 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.3 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.3 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.1 110.721 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.1 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.1 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 50.1 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.3 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.1 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.2 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.3 110.866 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.071 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.2 111.093 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.2 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.3 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 37.2 111.079 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.4 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.4 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 73.3 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 60.1 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.3 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.2 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.2 111.198 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 73.2 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.844 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 63.3 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.3 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 75.4 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 72.4 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 74.1 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.4 111.057 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.3 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.1 110.835 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.145 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.874 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.1 110.942 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 73.3 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.2 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.3 110.965 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.3 111.105 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 65.4 111.184 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.3 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.5 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.4 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.3 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.4 111.11 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.3 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.3 110.961 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.078 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.3 111.048 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.934 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.5 110.722 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.3 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.2 111.172 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.2 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 75.3 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.2 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 75.3 111.176 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 63.2 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.1 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 64.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.2 110.781 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.4 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 75.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.2 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.1 110.922 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.831 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.2 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.92 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.869 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.067 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.1 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.4 110.918 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.1 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 71.1 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.2 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.2 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.1 111.075 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 75.4 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.1 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.835 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.911 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 62.3 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.4 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.1 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.074 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.3 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.931 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.3 111.038 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.3 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.1 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.4 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 74.3 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.1 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 53.3 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.2 111.14 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.051 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.975 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.162 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.129 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 75.4 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.2 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.3 111.376 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.3 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 38.1 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.2 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.1 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.848 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.1 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.3 111.178 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.4 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 74.4 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.1 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 63.3 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.2 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.959 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.1 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 73.1 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.4 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.174 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.3 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.1 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.1 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.933 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.3 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.3 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.2 110.959 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.1 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.3 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.3 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.3 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.1 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.3 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.864 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.116 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.4 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.1 110.937 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 74.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.1 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.3 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 71.1 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.3 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.3 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.862 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.3 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.886 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.4 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.004 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.4 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.4 111.054 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.1 111.149 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.1 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.1 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.3 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 75.5 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 73.1 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.2 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.1 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.3 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.859 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 74.0 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.3 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.2 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 74.3 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.3 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.142 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.2 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 71.5 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 65.3 110.837 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.1 110.812 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.935 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.2 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 37.8 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.3 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.5 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.867 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.1 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.2 111.134 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.1 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 72.1 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.2 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.4 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 73.1 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 73.1 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.1 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 75.3 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 64.3 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.898 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.974 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.4 110.995 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.1 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 37.8 111.171 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 61.1 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.4 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.3 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 73.1 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.4 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.1 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.1 111.185 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.788 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.854 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.1 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.848 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.4 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.5 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.2 111.114 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 54.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 72.3 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.3 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 74.2 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 73.5 111.106 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.918 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.1 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.3 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.2 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.2 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 54.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.3 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.1 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.836 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 64.3 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 70.3 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 75.5 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.2 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.4 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.3 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.896 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.2 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.3 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.1 111.073 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.108 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.836 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 65.4 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.893 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.2 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.4 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.1 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.78 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 72.3 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.4 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.1 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.2 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.91 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.3 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 75.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.5 110.863 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.3 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.1 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.4 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.408 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 75.1 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 65.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.1 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.919 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.1 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.3 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.0 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.2 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.1 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.2 111.061 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 61.3 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.815 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.906 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.3 111.083 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.875 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.424 ' ND2' ' CG ' ' A' ' 46' ' ' HIS . 4.2 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.1 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.931 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.4 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 73.1 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.4 111.133 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.1 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.3 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 75.1 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.2 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.3 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.5 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.4 110.889 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.2 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 71.1 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.111 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.3 111.067 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.3 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.841 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.993 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.424 ' CG ' ' ND2' ' A' ' 10' ' ' ASN . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 71.4 111.003 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 73.1 111.122 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.4 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.3 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.4 111.197 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 71.1 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.1 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 75.4 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.3 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.109 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.14 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.1 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 74.5 110.901 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 18' ' ' ALA . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.3 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.2 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 65.2 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.4 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 75.3 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.1 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 62.2 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.1 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 71.4 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.908 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.881 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.935 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.3 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.708 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.1 111.147 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.918 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 70.3 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.1 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.897 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.1 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.3 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.827 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.121 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.894 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.4 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.012 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.89 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.3 111.043 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 73.2 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 75.1 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.2 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.3 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.1 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 73.1 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.4 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 72.1 110.976 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.1 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.2 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.181 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 55.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.1 110.925 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 73.5 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.4 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.938 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.4 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 74.1 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.184 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 75.4 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.1 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.3 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.1 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.4 111.087 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 61.3 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.3 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.943 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.905 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.907 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.2 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.2 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.2 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.074 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 75.2 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.3 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.1 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.3 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 74.3 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.921 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.2 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.4 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.5 111.09 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.2 110.935 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CE1' HG23 ' A' ' 61' ' ' ILE . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.959 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.2 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.1 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 75.2 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 71.3 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.4 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.1 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 44.1 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 73.2 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.1 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.5 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.5 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.2 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.2 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.4 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.4 111.108 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.1 110.877 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.4 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 60.1 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.3 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.3 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.3 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.1 111.105 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.4 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.3 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 75.3 110.922 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.3 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.896 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.1 110.996 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.985 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 75.4 110.818 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 71.5 111.099 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.3 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.2 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.1 111.074 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.3 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.4 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.5 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 65.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.3 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 73.3 110.919 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.898 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.3 111.169 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.1 111.107 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 72.5 110.91 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.1 110.965 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.3 111.138 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.1 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.3 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.1 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 75.1 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 64.4 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.902 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.2 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.81 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.4 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.941 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.4 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.4 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.2 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.3 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.4 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . 5.8 mm100 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.2 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.2 110.851 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.4 111.109 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.896 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 46' ' ' HIS . 3.0 m120 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.2 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.94 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.1 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.4 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.068 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.4 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.2 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.936 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.08 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.1 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.3 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 54.1 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.1 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.3 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.877 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 71.4 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.4 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.09 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 62.4 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.976 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' ND2' ' A' ' 10' ' ' ASN . 2.0 t60 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.164 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 74.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.4 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.1 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.2 111.14 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 60.3 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.1 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.3 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 63.1 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.831 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.4 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.2 111.178 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.2 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.947 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.4 111.087 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.922 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.3 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.879 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.1 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.1 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.4 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.3 110.977 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 75.5 110.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.987 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 63.2 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 73.3 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.1 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.4 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 64.2 110.889 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.119 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.2 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.2 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.3 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.1 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.1 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 62.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.4 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.3 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.2 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.3 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.2 111.121 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.897 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 71.5 111.186 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.1 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 73.4 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.4 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 65.4 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.4 111.133 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.2 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.2 110.879 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.4 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 72.2 111.109 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.4 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 73.1 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.884 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 64.2 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.4 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.909 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.1 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 44.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 74.1 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 72.5 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 74.4 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.2 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 73.4 110.959 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 65.3 110.876 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.4 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.3 110.925 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.2 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.4 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.4 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.938 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.067 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.4 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.835 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.2 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.3 110.867 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 74.3 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.4 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.035 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.4 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.885 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.4 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.2 111.252 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.1 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.2 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 74.2 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.1 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.4 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.1 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.2 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.3 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.2 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.3 111.178 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.859 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.4 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.774 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 64.4 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.3 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 64.3 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.2 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.1 110.918 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.1 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.5 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.1 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 75.2 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.4 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . 0.453 HD11 HG22 ' B' ' 119' ' ' ILE . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.4 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 64.2 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.86 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.3 110.935 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.4 110.891 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.4 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 71.1 110.919 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.085 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.109 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.3 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.1 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 74.5 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 62.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.946 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.847 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.876 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.1 111.134 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 73.4 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 73.1 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 74.2 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 73.3 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.3 110.721 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.3 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.4 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.1 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 75.2 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 73.2 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.2 111.193 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.4 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.1 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 55.1 110.901 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.889 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.113 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.901 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.0 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.4 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 54.3 110.936 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 73.4 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 73.4 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.3 111.102 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 65.2 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.2 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.824 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.1 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.2 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.1 110.913 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.3 111.092 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.099 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.843 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.2 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.4 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 71.3 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.824 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.1 111.11 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.2 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.2 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.15 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.1 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.3 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.2 110.953 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 74.3 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.3 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.1 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 71.2 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 52.2 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.1 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.3 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 74.5 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.2 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.893 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.188 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 70.3 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.4 110.947 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.933 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 73.4 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.1 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 70.2 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 72.1 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.3 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.2 111.166 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.2 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.968 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.4 110.914 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.4 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.924 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.887 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.2 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 53.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.3 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.949 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.1 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.2 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.1 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.2 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 75.2 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.4 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.4 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.127 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.2 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.219 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.3 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 71.3 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.3 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.4 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.4 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.4 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 52.3 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.3 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 53.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 65.5 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.968 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.3 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.873 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.1 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 74.4 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.3 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.1 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.3 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.028 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 73.4 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.2 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.3 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.935 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.2 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.1 110.852 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.788 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.4 110.994 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.3 110.791 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 70.3 111.05 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.076 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.4 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.914 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.3 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.1 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 62.4 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.4 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.2 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.3 110.795 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.862 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.083 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.1 111.042 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 61.3 110.922 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.5 111.027 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.4 111.075 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 73.1 110.791 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.3 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.1 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 42.4 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.3 111.04 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 73.2 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.4 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.2 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 75.3 111.033 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.3 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.4 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.854 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.3 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.421 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.1 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 54.2 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.902 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.3 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.4 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.3 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.2 110.924 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.4 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.1 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.4 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.4 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.4 110.892 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.2 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.1 110.871 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.3 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.4 110.866 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.989 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.3 110.816 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 70.3 111.114 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.4 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.4 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.839 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 70.3 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 65.1 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.2 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 62.4 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CD1' HD21 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.2 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.887 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.837 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.175 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.028 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.3 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 61.3 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.5 110.997 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 74.2 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.4 111.02 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 73.1 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.3 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 42.4 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.3 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 73.2 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.4 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.3 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.2 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 75.3 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.4 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.3 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.852 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 64.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.3 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.3 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 54.2 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.1 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.1 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.2 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.4 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.1 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.959 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.4 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.864 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.126 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mt -66.05 -43.88 86.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.01 84.4 0.94 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 54.3 112.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.87 133.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 63.4 111.076 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 72.3 110.892 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.4 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' CD1' ' CG1' ' A' ' 47' ' ' VAL . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 72.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 64.3 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.031 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.762 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 72.3 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 64.4 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.2 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.4 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.3 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 75.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.832 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.1 111.1 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.912 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.867 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.889 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.1 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.939 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG1' ' CD1' ' A' ' 11' ' ' LEU . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.3 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.2 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.3 111.146 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.4 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.2 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.4 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.1 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.2 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.4 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 73.2 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.4 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.1 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.2 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.5 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.072 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.871 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.4 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 74.4 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 75.2 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.2 111.15 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.2 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.858 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.29 -44.07 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.85 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.46 133.63 11.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.455 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -176.78 135.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 72.2 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.217 -0.896 . . . . 72.1 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.3 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.1 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.859 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.135 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 64.3 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.5 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 54.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.4 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.893 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 73.3 111.112 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.1 111.043 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 53.3 110.89 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.936 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.2 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 64.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.1 111.162 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.4 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.2 110.486 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 71.4 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.5 111.205 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.4 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 75.1 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.3 110.885 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.1 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.2 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.88 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 73.4 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.4 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.3 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.2 111.186 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.3 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.916 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.01 -31.37 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -78.61 -31.2 46.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 72.3 112.471 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.09 127.36 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 73.1 111.061 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 73.4 110.871 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.3 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.3 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.1 110.721 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.1 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.4 111.089 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.1 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.13 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 50.1 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.3 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.1 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.856 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.144 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.2 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.3 110.866 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 75.1 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.071 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.2 111.093 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.2 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.3 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 37.2 111.079 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.4 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.4 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 73.3 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 60.1 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.3 111.01 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.2 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.2 111.198 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 73.2 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.844 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 63.3 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.3 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 75.4 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 72.4 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 74.1 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.4 111.057 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.3 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 71.4 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.1 110.835 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.145 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.01 -32.35 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.68 56.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 70.3 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.26 -30.83 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.4 111.136 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.278 -0.867 . . . . 55.3 110.939 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.1 110.942 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 73.3 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.2 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.3 110.965 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.3 111.105 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 65.4 111.184 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.3 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.5 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.4 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.3 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.4 111.11 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.3 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.3 110.961 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.078 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.3 111.048 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.934 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.5 110.722 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.3 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.2 111.172 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.2 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 75.3 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.2 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 75.3 111.176 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 63.2 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.1 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 64.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.2 110.781 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.4 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 75.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.2 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.1 110.922 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.831 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.2 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.1 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.92 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.869 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.067 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.1 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.4 110.918 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.1 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 71.1 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.2 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.2 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.1 111.075 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 75.4 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.1 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.835 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.911 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.99 -31.11 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.52 69.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.82 -0.705 . . . . 63.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 28.4 t -103.4 137.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 61.4 111.071 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.221 -0.895 . . . . 74.1 110.93 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 62.3 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.4 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.1 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.074 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.3 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.931 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.3 111.038 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.3 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.1 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.4 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 74.3 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.1 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 53.3 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.925 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.2 111.14 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.051 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.975 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.162 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.129 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 75.4 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.2 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.3 111.376 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.3 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 38.1 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.2 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.1 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.848 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.1 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.3 111.178 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.899 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.4 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 74.4 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.1 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 63.3 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.2 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.959 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.1 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 73.1 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.4 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.174 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.3 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.1 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.1 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.933 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.3 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.3 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.96 -34.82 78.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.2 110.959 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.86 29.8 9.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 61.3 112.476 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.49 130.0 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 74.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.256 -0.878 . . . . 75.1 110.895 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.1 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.3 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.3 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.3 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.1 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.3 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.864 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.116 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.4 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.1 110.937 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 74.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.1 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.3 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 71.1 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.3 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.3 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.862 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.3 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.886 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.4 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.004 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.4 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.4 111.054 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.1 111.149 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.1 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.1 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.3 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 75.5 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 73.1 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.2 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.1 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.3 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.859 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 74.0 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.3 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.2 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 74.3 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.3 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.142 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.2 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 71.5 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 65.3 110.837 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.1 110.812 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.92 -31.11 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.935 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.52 -28.4 64.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 41.3 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 31.2 m -98.67 -179.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 45.2 111.183 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.201 -0.904 . . . . 54.1 110.841 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.2 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 37.8 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.3 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.5 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.867 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.1 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.2 111.134 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.1 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 72.1 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.2 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.4 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 73.1 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 73.1 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.1 110.854 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 75.3 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 64.3 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.898 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.974 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.4 110.995 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.2 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.1 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 37.8 111.171 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 61.1 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.4 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.3 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 73.1 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.4 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.1 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.1 111.185 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.788 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.854 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.1 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.848 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.4 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.5 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.2 111.114 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 54.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 72.3 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.3 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 74.2 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 73.5 111.106 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.918 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.03 -43.35 87.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.94 130.36 5.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 52.4 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -170.19 135.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 74.3 111.06 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.25 -0.881 . . . . 71.3 110.917 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.1 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.3 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.2 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.2 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 54.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.3 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.1 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.836 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 64.3 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 70.3 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 75.5 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.2 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.4 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.3 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.896 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.2 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.3 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.1 111.073 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.108 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.836 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 65.4 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.893 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.2 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.4 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.1 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.78 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 72.3 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.4 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.1 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.2 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.91 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.3 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 75.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.5 110.863 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.3 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.1 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.4 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.408 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 75.1 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 65.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.1 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.919 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.1 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.3 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.0 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.2 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.1 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.2 111.061 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 61.3 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.815 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.906 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.3 111.083 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.03 -32.08 73.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.48 62.59 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 63.4 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.09 -179.78 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 63.3 111.1 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.295 -0.86 . . . . 75.3 110.893 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.424 ' ND2' ' CG ' ' A' ' 46' ' ' HIS . 4.2 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.1 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.931 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.4 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 73.1 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.4 111.133 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.4 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.1 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.3 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 75.1 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.2 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.3 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.5 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.4 110.889 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.2 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 71.1 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.111 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.3 111.067 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.3 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.841 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.993 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.424 ' CG ' ' ND2' ' A' ' 10' ' ' ASN . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 71.4 111.003 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 73.1 111.122 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.4 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.3 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.4 111.197 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 71.1 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.1 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 75.4 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.3 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.109 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.14 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.1 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 74.5 110.901 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 18' ' ' ALA . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.3 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.2 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 65.2 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.4 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 75.3 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.1 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 62.2 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.1 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 71.4 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.908 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.881 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt -78.75 -31.13 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.77 50.78 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 75.1 112.498 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 6.0 m -158.94 30.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 70.4 111.118 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.253 -0.879 . . . . 71.2 110.898 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.3 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.708 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.1 111.147 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.918 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 70.3 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.1 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.897 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.1 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.3 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.827 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.121 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.894 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.4 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.012 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.89 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.3 111.043 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 73.2 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 75.1 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.2 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.3 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.1 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 73.1 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.4 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 72.1 110.976 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.1 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.2 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.181 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 55.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.1 110.925 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 73.5 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.4 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.938 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.4 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 74.1 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.184 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 75.4 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.1 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.3 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.1 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.4 111.087 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 61.3 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.3 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.943 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.905 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.08 -35.5 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.907 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.8 87.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 73.3 112.525 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.5 129.61 58.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 74.1 111.096 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.226 -0.892 . . . . 62.4 110.889 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.2 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.2 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.2 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.074 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 75.2 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.3 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.1 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.3 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 74.3 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.921 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.2 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.4 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.5 111.09 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.2 110.935 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CE1' HG23 ' A' ' 61' ' ' ILE . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.959 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.2 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.1 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 75.2 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 71.3 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.4 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.1 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 44.1 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 73.2 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 44' ' ' PHE . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.1 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.905 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.5 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.5 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.2 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.2 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.4 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.4 111.108 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.1 110.877 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.4 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 60.1 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.3 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.3 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.3 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.1 111.105 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.4 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.3 110.931 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mt -65.95 -31.24 72.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 75.3 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.92 25.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 74.1 112.493 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 31.2 m -76.82 148.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 70.4 111.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.269 -0.872 . . . . 74.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.3 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.896 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.1 110.996 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.985 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 75.4 110.818 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 71.5 111.099 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.3 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.2 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.1 111.074 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.3 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.4 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.5 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 65.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.3 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 73.3 110.919 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.898 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.3 111.169 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.1 111.107 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 72.5 110.91 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.1 110.965 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.3 111.138 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.1 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.3 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.1 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 75.1 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 64.4 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.902 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.2 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.81 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.4 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.941 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.4 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.4 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.2 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.3 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.4 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . 5.8 mm100 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.2 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.2 110.851 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.4 111.109 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.41 -31.39 71.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.16 74.86 2.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.681 -0.771 . . . . 71.5 112.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.0 110.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 73.3 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.197 -0.906 . . . . 75.3 110.887 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 46' ' ' HIS . 3.0 m120 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.2 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.94 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.1 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.4 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.068 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.4 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.2 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.936 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.08 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.1 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 62.2 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.3 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 54.1 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.1 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.3 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.877 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 71.4 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.4 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.09 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 62.4 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.976 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' ND2' ' A' ' 10' ' ' ASN . 2.0 t60 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.164 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 74.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.4 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.1 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.2 111.14 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 60.3 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.1 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.3 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 63.1 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.831 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.4 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.2 111.178 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.2 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.947 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.4 111.087 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.922 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.3 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.879 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.1 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.1 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.4 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.3 110.977 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 75.5 110.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt -65.97 -33.74 76.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 74.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.26 78.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 64.3 112.562 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.72 179.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 73.1 111.074 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.275 -0.869 . . . . 61.0 110.884 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 63.2 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 73.3 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.1 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.4 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 64.2 110.889 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.119 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 74.3 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.2 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.2 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.3 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.1 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.1 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 62.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.4 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.3 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.2 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.3 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.2 111.121 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.897 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 71.5 111.186 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.1 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 73.4 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.4 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 65.4 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.4 111.133 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.2 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.2 110.879 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.4 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 72.2 111.109 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.4 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 73.1 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.884 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 64.2 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.4 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.909 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.1 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 44.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 74.1 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 72.5 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 74.4 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.2 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 73.4 110.959 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 65.3 110.876 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.4 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.3 110.925 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.8 122.01 2.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 62.3 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.34 115.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 72.2 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.167 -0.92 . . . . 61.2 110.952 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.2 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.4 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.4 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.938 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.067 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.4 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.835 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.2 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.3 110.867 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 74.3 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.4 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.035 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.4 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.885 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD1' ' HB2' ' A' ' 21' ' ' ALA . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.4 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.876 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.2 111.252 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.1 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.2 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 74.2 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.1 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.4 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.1 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.2 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.3 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.2 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.3 111.178 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.859 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.4 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.774 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 64.4 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.3 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 64.3 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.2 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.1 110.918 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.1 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.5 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.1 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 75.2 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.4 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . 0.453 HD11 HG22 ' B' ' 119' ' ' ILE . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.4 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 64.2 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.86 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.3 110.935 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.99 -37.01 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.4 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.68 86.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 74.2 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.34 133.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 63.4 111.093 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.216 -0.897 . . . . 74.4 110.873 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.4 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 71.1 110.919 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.085 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.109 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.3 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.1 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 74.5 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 62.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.946 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.847 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.876 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.1 111.134 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 73.4 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 73.1 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 74.2 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 73.3 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.3 110.721 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.3 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.4 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.1 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 75.2 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 73.2 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.2 111.193 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.4 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.1 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 55.1 110.901 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.889 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.113 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.901 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.0 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.4 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 54.3 110.936 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 73.4 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 73.4 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.3 111.102 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 65.2 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.99 -32.47 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.99 77.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 72.2 112.578 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.87 -30.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.2 111.123 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.239 -0.886 . . . . 52.5 110.884 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.2 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.824 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.1 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.2 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.1 110.913 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.3 111.092 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.099 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.843 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.2 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.4 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 71.3 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.824 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.1 111.11 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.2 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.2 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.3 111.15 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.1 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.3 110.905 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.2 110.953 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 74.3 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.3 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.1 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 71.2 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 52.2 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.1 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.3 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 74.5 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.2 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.893 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.188 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 70.3 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.4 110.947 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.933 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 73.4 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.1 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 70.2 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 72.1 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.3 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.2 111.166 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.2 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.968 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.4 110.914 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.4 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.97 -43.7 82.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.924 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.39 67.23 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 71.5 112.517 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.05 -30.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 72.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.225 -0.893 . . . . 73.1 110.86 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.887 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.2 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 53.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.3 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.949 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.1 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.2 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.1 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.2 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 75.2 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.4 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.4 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.127 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.2 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.219 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.3 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 71.3 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.3 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.4 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.4 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.4 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 52.3 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.3 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 53.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 65.5 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.968 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.3 111.096 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.873 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.1 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 74.4 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.3 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.1 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.3 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.028 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 73.4 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.2 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.3 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.0 -31.2 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.08 127.32 4.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 74.5 112.489 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -177.32 138.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 74.5 111.072 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.18 -0.914 . . . . 72.2 110.953 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.2 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.1 110.852 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.788 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.4 110.994 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.3 110.791 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 70.3 111.05 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.076 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.4 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.914 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 70.3 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 65.1 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 62.4 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.4 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.2 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.3 110.795 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.862 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.083 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.1 111.042 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 61.3 110.922 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.5 111.027 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.4 111.075 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 73.1 110.791 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.3 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.1 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 42.4 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.3 111.04 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 73.2 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.4 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.2 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 75.3 111.033 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.3 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.4 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.854 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.3 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.421 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.1 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 54.2 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.902 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.3 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.4 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 78' ' ' TYR . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.3 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.2 110.924 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.4 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.1 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.4 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.4 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -31.26 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.4 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.93 92.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.473 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.07 153.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 63.4 111.103 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.322 -0.847 . . . . 72.3 110.907 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.099999999999994 110.871 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.299999999999997 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.400000000000006 110.866 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.989 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 13' ' ' LYS . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.816 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 54.200000000000003 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.400000000000006 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.299999999999997 110.839 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 61.299999999999997 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 62.299999999999997 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 30.5 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.399999999999999 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CD1' HD22 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.299999999999997 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.400000000000006 110.87 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 72' ' ' ALA . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.859 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 32' ' ' GLU . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.887 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 64.200000000000003 110.837 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 111.175 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.100000000000001 111.028 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG2' HD23 ' B' ' 123' ' ' LEU . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.099999999999994 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.864 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 53.399999999999999 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.200000000000003 110.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 70.200000000000003 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 62.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 44' ' ' PHE . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.400000000000006 111.02 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 70.400000000000006 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.299999999999997 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.099999999999994 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 32.200000000000003 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.299999999999997 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 33.100000000000001 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.400000000000006 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.299999999999997 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.200000000000003 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 74.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.299999999999997 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.652 ' O ' HD13 ' B' ' 119' ' ' ILE . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.099999999999994 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.200000000000003 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.64 ' SG ' HG13 ' A' ' 41' ' ' VAL . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.299999999999997 110.852 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.399999999999999 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.099999999999994 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.100000000000001 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.099999999999994 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.099999999999994 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.299999999999997 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.399999999999999 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.099999999999994 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.299999999999997 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.200000000000003 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 61.100000000000001 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.299999999999997 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.099999999999994 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 62' ' ' ARG . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 110.959 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.400000000000006 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.099999999999994 110.864 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.200000000000003 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.126 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 69' ' ' LEU . 4.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.923 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.400000000000006 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.200000000000003 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 70.200000000000003 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 61.299999999999997 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 111.031 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.400000000000006 110.762 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 43.299999999999997 111.022 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 51.299999999999997 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.400000000000006 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.299999999999997 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 65.400000000000006 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.832 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.099999999999994 111.1 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.400000000000006 110.912 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.200000000000003 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.299999999999997 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 34' ' ' LEU . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.200000000000003 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 61.5 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.099999999999994 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.833 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.400000000000006 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.400000000000006 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 61' ' ' ILE . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.299999999999997 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.200000000000003 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.299999999999997 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.399999999999999 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.200000000000003 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.400000000000006 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.099999999999994 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.200000000000003 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' NZ ' ' HB1' ' A' ' 52' ' ' ALA . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.399999999999999 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 52.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.299999999999997 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' CD ' HD12 ' B' ' 119' ' ' ILE . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.399999999999999 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.737 ' SG ' HG13 ' A' ' 41' ' ' VAL . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.100000000000001 110.874 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.200000000000003 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' CYS . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 54.100000000000001 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.200000000000003 111.072 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.399999999999999 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 64.099999999999994 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 54.299999999999997 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.479 ' O ' HD12 ' B' ' 123' ' ' LEU . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.498 ' HB3' HD13 ' A' ' 69' ' ' LEU . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.200000000000003 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 119' ' ' ILE . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.85 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.299999999999997 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.200000000000003 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.099999999999994 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.100000000000001 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 62.399999999999999 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 51.100000000000001 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.099999999999994 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.200000000000003 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.200000000000003 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 55.299999999999997 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.299999999999997 111.104 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD12 ' HB1' ' A' ' 72' ' ' ALA . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.200000000000003 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.893 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.944 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 70.400000000000006 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 34.200000000000003 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.888 HG12 HD21 ' B' ' 123' ' ' LEU . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.100000000000001 111.043 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.299999999999997 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 51.399999999999999 110.89 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.099999999999994 110.936 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 110.96 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.012 HG21 HD13 ' A' ' 61' ' ' ILE . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 61.100000000000001 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.100000000000001 111.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.65 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.400000000000006 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 70.5 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.200000000000003 110.486 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 65.299999999999997 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.012 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 60.100000000000001 111.205 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.904 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.200000000000003 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.200000000000003 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' A' ' 41' ' ' VAL . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' CB ' ' B' ' 122' ' ' GLN . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 110.885 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.099999999999994 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 75' ' ' LEU . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.932 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.400000000000006 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.100000000000001 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 72.099999999999994 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 HD22 ' A' ' 34' ' ' LEU . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.400000000000006 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.792 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.099999999999994 111.186 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.299999999999997 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.742 ' CB ' HD13 ' A' ' 69' ' ' LEU . 7.7 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.916 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.888 HD21 HG12 ' A' ' 41' ' ' VAL . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 60.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 60.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.400000000000006 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.886 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' HB2' HG12 ' A' ' 47' ' ' VAL . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.299999999999997 111.083 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.299999999999997 110.915 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.099999999999994 110.721 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.099999999999994 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 111.089 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.099999999999994 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 111.13 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.099999999999994 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.200000000000003 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.200000000000003 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 35.399999999999999 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.099999999999994 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 62.200000000000003 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.399999999999999 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.200000000000003 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 32' ' ' GLU . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.856 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.399999999999999 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.200000000000003 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.299999999999997 110.866 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.400000000000006 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 10' ' ' ASN . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.071 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 61' ' ' ILE . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.200000000000003 111.093 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.200000000000003 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.299999999999997 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 24.100000000000001 111.079 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.400000000000006 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.400000000000006 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 64.299999999999997 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 44.200000000000003 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.299999999999997 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.400000000000006 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.200000000000003 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.0 111.198 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.200000000000003 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 53.100000000000001 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.099999999999994 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 123' ' ' LEU . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.844 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.099999999999994 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 53.100000000000001 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 79' ' ' LEU . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.299999999999997 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 74.200000000000003 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 75' ' ' LEU . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 70.299999999999997 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 72.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.686 ' O ' HD23 ' B' ' 123' ' ' LEU . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.400000000000006 111.057 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.099999999999994 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 65.099999999999994 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 119' ' ' ILE . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 64.400000000000006 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.200000000000003 111.145 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 69' ' ' LEU . 2.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.299999999999997 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 15' ' ' ILE . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 71.299999999999997 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.200000000000003 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 HD23 ' A' ' 11' ' ' LEU . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 39' ' ' HIS . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.965 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 70.299999999999997 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.200000000000003 111.184 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.299999999999997 110.854 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.099999999999994 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.299999999999997 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.200000000000003 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.100000000000001 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.11 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.802 HD12 ' HB1' ' A' ' 72' ' ' ALA . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.299999999999997 110.832 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.299999999999997 110.865 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.099999999999994 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 110.928 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.078 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.299999999999997 111.048 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 64.099999999999994 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.934 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD12 ' CD2' ' B' ' 123' ' ' LEU . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.200000000000003 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.299999999999997 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 44' ' ' PHE . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.200000000000003 111.172 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.200000000000003 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 72.200000000000003 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.200000000000003 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 54.100000000000001 111.176 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.099999999999994 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 54.299999999999997 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.200000000000003 110.781 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.400000000000006 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 53.299999999999997 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.717 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 54.200000000000003 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.553 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.099999999999994 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.524 ' CB ' HG13 ' A' ' 41' ' ' VAL . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.100000000000001 110.922 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.831 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.200000000000003 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' B' ' 122' ' ' GLN . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.200000000000003 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.869 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.802 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 63.399999999999999 111.067 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.099999999999994 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.400000000000006 110.918 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.099999999999994 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.400000000000006 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 55.100000000000001 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.200000000000003 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.200000000000003 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 45' ' ' LEU . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.099999999999994 111.075 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' B' ' 123' ' ' LEU . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.824 ' HB2' HD13 ' A' ' 69' ' ' LEU . 8.9 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.100000000000001 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.681 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.835 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LYS . . . . . 0.53 ' N ' HD12 ' B' ' 123' ' ' LEU . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.911 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.299999999999997 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 122' ' ' GLN . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 60.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.399999999999999 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.100000000000001 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.400000000000006 111.074 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 52.399999999999999 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.299999999999997 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 39' ' ' HIS . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.931 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.299999999999997 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.299999999999997 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.099999999999994 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.200000000000003 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.099999999999994 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.400000000000006 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.099999999999994 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.299999999999997 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.099999999999994 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 51.200000000000003 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 34' ' ' LEU . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 60.299999999999997 110.942 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.099999999999994 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.723 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.200000000000003 111.14 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.747 HG13 ' SG ' ' A' ' 65' ' ' CYS . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.299999999999997 111.051 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.200000000000003 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.975 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.04 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.299999999999997 111.129 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 65.099999999999994 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.200000000000003 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 111.376 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.299999999999997 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 22.5 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.200000000000003 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.099999999999994 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.099999999999994 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.299999999999997 111.178 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.399999999999999 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' HG13 ' A' ' 41' ' ' VAL . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.099999999999994 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.299999999999997 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.400000000000006 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 65' ' ' CYS . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.299999999999997 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.400000000000006 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.299999999999997 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 54.399999999999999 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.200000000000003 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 75' ' ' LEU . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 62.200000000000003 110.959 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.099999999999994 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.400000000000006 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 62.200000000000003 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.400000000000006 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.495 ' O ' HD12 ' B' ' 123' ' ' LEU . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.174 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.299999999999997 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.099999999999994 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 54.299999999999997 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 41' ' ' VAL . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.933 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.299999999999997 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.299999999999997 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 69' ' ' LEU . 64.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.200000000000003 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HG ' HG11 ' A' ' 47' ' ' VAL . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.099999999999994 110.9 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.299999999999997 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.299999999999997 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.299999999999997 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.100000000000001 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.299999999999997 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 20' ' ' LYS . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.200000000000003 110.864 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 24.199999999999999 111.116 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.619 ' HD2' HD22 ' A' ' 36' ' ' LEU . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.400000000000006 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.299999999999997 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.100000000000001 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.200000000000003 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 73.099999999999994 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.100000000000001 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.299999999999997 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 54.299999999999997 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.5 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.299999999999997 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.400000000000006 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD22 ' HD2' ' A' ' 20' ' ' LYS . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.200000000000003 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.299999999999997 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.299999999999997 111.06 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.768 ' HG2' HD23 ' B' ' 123' ' ' LEU . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.768 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.399999999999999 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD22 ' B' ' 123' ' ' LEU . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.299999999999997 111.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.400000000000006 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 11' ' ' LEU . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 111.054 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG21 HD13 ' A' ' 61' ' ' ILE . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.099999999999994 111.149 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.099999999999994 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.099999999999994 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.299999999999997 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 71.099999999999994 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 65.299999999999997 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.200000000000003 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.032 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' B' ' 119' ' ' ILE . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.100000000000001 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 44.299999999999997 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLU . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 110.884 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' THR . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.400000000000006 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.299999999999997 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD21 HD12 ' B' ' 123' ' ' LEU . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.859 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.099999999999994 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' HD21 ' B' ' 126' ' ' LEU . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 53.399999999999999 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.299999999999997 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.200000000000003 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 70.099999999999994 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.299999999999997 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.668 ' O ' HD13 ' B' ' 123' ' ' LEU . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.200000000000003 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 63.200000000000003 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.445 ' CB ' HD13 ' A' ' 69' ' ' LEU . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 63.100000000000001 110.837 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 42' ' ' GLN . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.099999999999994 110.812 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.099999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 51.200000000000003 111.057 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 126' ' ' LEU . 12.4 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.935 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' A' ' 47' ' ' VAL . 9.6 m120 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.200000000000003 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 34.200000000000003 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.299999999999997 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 52.399999999999999 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 52.299999999999997 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.100000000000001 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.400000000000006 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' HD13 ' A' ' 36' ' ' LEU . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 41.5 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 54.100000000000001 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.400000000000006 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 62.5 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.200000000000003 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.299999999999997 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.200000000000003 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 20' ' ' LYS . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.299999999999997 110.93 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' HD12 ' A' ' 34' ' ' LEU . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.299999999999997 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 17' ' ' LEU . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 110.867 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 53.200000000000003 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.856 HG11 ' HG ' ' A' ' 69' ' ' LEU . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' B' ' 123' ' ' LEU . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.845 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.299999999999997 110.974 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 123' ' ' LEU . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.200000000000003 110.868 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.200000000000003 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 10' ' ' ASN . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.096 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.995 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.099999999999994 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 34.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 54.299999999999997 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.400000000000006 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.299999999999997 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 63.399999999999999 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.665 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.400000000000006 111.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.099999999999994 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.096 HD13 HG21 ' A' ' 48' ' ' VAL . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.099999999999994 111.185 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.099999999999994 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.658 ' CB ' HG13 ' A' ' 41' ' ' VAL . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.200000000000003 110.788 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.661 HG23 HG12 ' B' ' 119' ' ' ILE . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.854 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.100000000000001 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.856 ' HG ' HG11 ' A' ' 41' ' ' VAL . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.848 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.400000000000006 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.200000000000003 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' HD21 ' A' ' 34' ' ' LEU . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.200000000000003 111.114 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 45.299999999999997 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' A' ' 34' ' ' LEU . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 40.299999999999997 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.099999999999994 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 53.0 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.200000000000003 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 52.299999999999997 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.299999999999997 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 53.5 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.100000000000001 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.661 HG12 HG23 ' A' ' 66' ' ' THR . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 70.299999999999997 111.106 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.399999999999999 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.811 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.893 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.772 HD21 HD12 ' A' ' 45' ' ' LEU . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.099999999999994 110.918 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.299999999999997 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.099999999999994 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.299999999999997 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.200000000000003 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.200000000000003 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 42.399999999999999 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.400000000000006 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.299999999999997 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.099999999999994 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.400000000000006 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.399999999999999 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.836 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 63.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 54.5 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 53.299999999999997 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 70.299999999999997 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.200000000000003 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.399999999999999 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.299999999999997 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.896 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.299999999999997 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.100000000000001 111.073 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 37' ' ' TYR . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.108 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.754 ' HB3' HD11 ' B' ' 123' ' ' LEU . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 60.200000000000003 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 53.299999999999997 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.200000000000003 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 44' ' ' PHE . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 HD13 ' A' ' 61' ' ' ILE . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 52.399999999999999 110.893 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.200000000000003 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.400000000000006 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.099999999999994 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.099999999999994 110.78 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.200000000000003 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 63.399999999999999 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.200000000000003 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG2' HG13 ' A' ' 48' ' ' VAL . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 110.91 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.299999999999997 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 54.200000000000003 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.05 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.5 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.863 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 53.399999999999999 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.099999999999994 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.099999999999994 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.399999999999999 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 41' ' ' VAL . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.099999999999994 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.099999999999994 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 64.299999999999997 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.200000000000003 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.099999999999994 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.436 HD11 ' OD2' ' A' ' 25' ' ' ASP . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.200000000000003 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.099999999999994 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.299999999999997 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 70.400000000000006 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.200000000000003 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.099999999999994 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.445 HD12 ' CD ' ' A' ' 62' ' ' ARG . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.061 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 53.299999999999997 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.299999999999997 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 69' ' ' LEU . 3.6 mm-40 -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 54.299999999999997 110.815 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 64.400000000000006 110.89 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.906 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.299999999999997 111.083 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.299999999999997 110.875 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.099999999999994 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.400000000000006 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 65.5 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.399999999999999 111.133 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.099999999999994 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.299999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.299999999999997 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.299999999999997 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 43.399999999999999 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.200000000000003 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.299999999999997 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.200000000000003 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.400000000000006 111.086 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.400000000000006 110.889 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.200000000000003 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 62.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.200000000000003 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 60.399999999999999 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.111 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' B' ' 123' ' ' LEU . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 111.067 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.642 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.299999999999997 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.400000000000006 110.841 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD12 HD22 ' B' ' 123' ' ' LEU . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.993 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 63.399999999999999 111.003 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.936 HG22 HD12 ' A' ' 61' ' ' ILE . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 54.399999999999999 111.122 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.400000000000006 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.299999999999997 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.400000000000006 111.197 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 62.299999999999997 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.099999999999994 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 71.400000000000006 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.299999999999997 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.627 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.200000000000003 111.109 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.099999999999994 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 48' ' ' VAL . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.14 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' B' ' 119' ' ' ILE . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.100000000000001 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' HG13 ' A' ' 41' ' ' VAL . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 64.299999999999997 110.901 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.299999999999997 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.299999999999997 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.099999999999994 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.099999999999994 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 34' ' ' LEU . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.882 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 63.5 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.399999999999999 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 63.299999999999997 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.099999999999994 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 53.100000000000001 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 50.399999999999999 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.099999999999994 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.099999999999994 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' A' ' 62' ' ' ARG . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.106 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.808 ' HB3' HD13 ' A' ' 69' ' ' LEU . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.099999999999994 110.908 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.8 HD12 HD11 ' A' ' 69' ' ' LEU . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.100000000000001 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.935 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.299999999999997 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.400000000000006 110.708 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.099999999999994 111.147 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 13' ' ' LYS . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.099999999999994 110.918 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 50.399999999999999 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.100000000000001 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.400000000000006 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.400000000000006 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.099999999999994 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.299999999999997 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.702 ' OE2' HD22 ' A' ' 79' ' ' LEU . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.827 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.200000000000003 111.121 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.400000000000006 110.894 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.400000000000006 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.592 ' HG2' HD23 ' B' ' 123' ' ' LEU . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.862 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.099999999999994 110.89 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 45' ' ' LEU . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.88 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 HD13 ' A' ' 61' ' ' ILE . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.299999999999997 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 71.099999999999994 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.299999999999997 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 64.299999999999997 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.200000000000003 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.299999999999997 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.099999999999994 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 61.200000000000003 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.399999999999999 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 55.299999999999997 110.976 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.099999999999994 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.200000000000003 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.018 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 111.181 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 50.399999999999999 110.919 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.100000000000001 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' HD12 ' A' ' 69' ' ' LEU . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.099999999999994 110.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.400000000000006 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 122' ' ' GLN . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.099999999999994 110.938 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.399999999999999 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.200000000000003 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.200000000000003 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.400000000000006 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.702 HD22 ' OE2' ' A' ' 31' ' ' GLU . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.184 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 74.0 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.099999999999994 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.299999999999997 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.100000000000001 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.586 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.400000000000006 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 54.200000000000003 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.533 ' HB3' HD13 ' A' ' 69' ' ' LEU . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 110.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.592 HD23 ' HG2' ' A' ' 42' ' ' GLN . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.299999999999997 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 24.5 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 51.299999999999997 110.907 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.200000000000003 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 11' ' ' LEU . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.200000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.400000000000006 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.400000000000006 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.400000000000006 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.575 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 111.074 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.400000000000006 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 64.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.299999999999997 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.099999999999994 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.299999999999997 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.399999999999999 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.100000000000001 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.887 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.601 ' HG2' HD23 ' B' ' 123' ' ' LEU . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.200000000000003 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.673 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 60.399999999999999 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG21 HD13 ' A' ' 61' ' ' ILE . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 73.099999999999994 110.959 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.200000000000003 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.099999999999994 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 70.200000000000003 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 62.299999999999997 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.400000000000006 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.099999999999994 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 41.100000000000001 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.400000000000006 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 72.299999999999997 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.093 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.099999999999994 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 70.099999999999994 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 61.299999999999997 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.399999999999999 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.299999999999997 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 61.200000000000003 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.200000000000003 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 71.400000000000006 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.781 HD13 ' CB ' ' B' ' 122' ' ' GLN . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.399999999999999 111.108 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.200000000000003 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' HD3' HD23 ' B' ' 126' ' ' LEU . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.099999999999994 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.400000000000006 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.399999999999999 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.400000000000006 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.299999999999997 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.299999999999997 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.299999999999997 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.441 HD12 ' CD ' ' A' ' 62' ' ' ARG . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.099999999999994 111.105 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.400000000000006 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.781 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.299999999999997 110.931 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 41' ' ' VAL . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.200000000000003 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.489 HD23 ' HD3' ' A' ' 76' ' ' LYS . 3.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 65.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.299999999999997 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.400000000000006 110.896 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.099999999999994 110.996 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.299999999999997 110.985 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.818 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.399999999999999 111.099 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.400000000000006 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.400000000000006 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.299999999999997 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.200000000000003 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' GLN . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.099999999999994 111.074 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.299999999999997 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.400000000000006 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.299999999999997 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 24.100000000000001 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.200000000000003 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.299999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.641 ' O ' HG12 ' A' ' 41' ' ' VAL . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.5 110.919 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.898 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 111.169 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.833 HG22 HD11 ' B' ' 123' ' ' LEU . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.107 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 41.5 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.200000000000003 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.91 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.099999999999994 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.099999999999994 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 44' ' ' PHE . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.099999999999994 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.086 HG21 HD13 ' A' ' 61' ' ' ILE . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.299999999999997 111.138 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.100000000000001 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.400000000000006 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 58' ' ' LYS . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.299999999999997 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.099999999999994 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 73.200000000000003 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 54.299999999999997 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.299999999999997 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' HB1' ' A' ' 52' ' ' ALA . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.086 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.200000000000003 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 41' ' ' VAL . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 61.299999999999997 110.81 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.400000000000006 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 51.5 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 79' ' ' LEU . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.200000000000003 110.942 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.400000000000006 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 75' ' ' LEU . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.941 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 73.299999999999997 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.400000000000006 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.400000000000006 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.200000000000003 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.299999999999997 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.400000000000006 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.200000000000003 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.825 ' CB ' HD13 ' A' ' 69' ' ' LEU . 6.4 mm-40 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.200000000000003 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.833 HD11 HG22 ' A' ' 41' ' ' VAL . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.200000000000003 110.851 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.399999999999999 111.109 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 38' ' ' GLN . 7.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.200000000000003 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HG ' HG11 ' A' ' 47' ' ' VAL . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 110.94 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.400000000000006 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 111.068 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.400000000000006 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 62.399999999999999 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 36' ' ' LEU . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.299999999999997 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.08 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.099999999999994 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 61.299999999999997 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.100000000000001 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.299999999999997 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 43.399999999999999 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 51.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.099999999999994 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.299999999999997 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 50.399999999999999 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 110.899 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 32' ' ' GLU . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.400000000000006 110.882 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.741 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.400000000000006 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 37' ' ' TYR . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.299999999999997 111.09 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 54.5 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.200000000000003 110.859 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.399999999999999 110.976 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.933 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' PHE . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 111.164 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.138 HG22 HD12 ' A' ' 61' ' ' ILE . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 61.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.400000000000006 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.099999999999994 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.200000000000003 111.14 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 53.299999999999997 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.099999999999994 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.299999999999997 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 61.299999999999997 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' ILE . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.400000000000006 110.831 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.400000000000006 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.138 HD12 HG22 ' A' ' 48' ' ' VAL . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 111.178 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.200000000000003 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.099999999999994 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG13 ' A' ' 41' ' ' VAL . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.099999999999994 110.947 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' B' ' 122' ' ' GLN . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.099999999999994 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.400000000000006 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.400000000000006 111.087 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 79' ' ' LEU . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.400000000000006 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.299999999999997 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 34' ' ' LEU . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.879 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.099999999999994 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.099999999999994 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.099999999999994 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.400000000000006 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.200000000000003 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.708 ' HB3' HD13 ' A' ' 69' ' ' LEU . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.299999999999997 110.977 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 45' ' ' LEU . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.100000000000001 110.91 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 73.299999999999997 110.987 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 52.5 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 47' ' ' VAL . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.299999999999997 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.200000000000003 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.400000000000006 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 55.200000000000003 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 39' ' ' HIS . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 63.100000000000001 110.889 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 111.119 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.200000000000003 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 61.200000000000003 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.399999999999999 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.901 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.200000000000003 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.299999999999997 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.099999999999994 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.099999999999994 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 41.200000000000003 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.400000000000006 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 75' ' ' LEU . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.923 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.299999999999997 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.200000000000003 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.765 ' HB3' HD13 ' A' ' 17' ' ' LEU . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.299999999999997 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.200000000000003 111.121 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 65' ' ' CYS . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.200000000000003 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.866 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 64.400000000000006 110.897 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.200000000000003 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 11' ' ' LEU . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 63.299999999999997 111.186 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.067 HG21 HD13 ' A' ' 61' ' ' ILE . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 72.5 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.400000000000006 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 43.399999999999999 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.399999999999999 111.133 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.200000000000003 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.400000000000006 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.752 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.400000000000006 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.067 HD13 HG21 ' A' ' 48' ' ' VAL . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 53.5 111.109 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.200000000000003 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' HG13 ' A' ' 41' ' ' VAL . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.200000000000003 110.887 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 62.399999999999999 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.099999999999994 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' B' ' 122' ' ' GLN . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.5 110.884 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 51.399999999999999 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.099999999999994 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD12 ' A' ' 34' ' ' LEU . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 44.100000000000001 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.400000000000006 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.099999999999994 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.299999999999997 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.400000000000006 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 61.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 70.200000000000003 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.399999999999999 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 71.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.200000000000003 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.569 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.399999999999999 110.959 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 64.299999999999997 110.876 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.545 HD11 HE22 ' B' ' 122' ' ' GLN . 11.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.299999999999997 110.925 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.200000000000003 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.299999999999997 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.399999999999999 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 36' ' ' LEU . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.200000000000003 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 111.067 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 60.299999999999997 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.835 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.200000000000003 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.299999999999997 110.867 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 65.099999999999994 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.400000000000006 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 60.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 111.035 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LYS . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.200000000000003 110.885 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.826 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.099999999999994 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.400000000000006 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG11 HD11 ' A' ' 69' ' ' LEU . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.099999999999994 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 62.399999999999999 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD22 HD21 ' B' ' 123' ' ' LEU . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.200000000000003 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 62.399999999999999 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.098 HG21 HD13 ' A' ' 61' ' ' ILE . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.200000000000003 111.252 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.099999999999994 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.200000000000003 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 63.399999999999999 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.099999999999994 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.400000000000006 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.099999999999994 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.200000000000003 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.299999999999997 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.200000000000003 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.299999999999997 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.099999999999994 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.098 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.299999999999997 111.178 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.200000000000003 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.75 ' SG ' HG13 ' A' ' 41' ' ' VAL . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 110.774 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 62.200000000000003 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.299999999999997 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.200000000000003 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG11 ' A' ' 41' ' ' VAL . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 53.200000000000003 110.913 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.200000000000003 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 75' ' ' LEU . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.099999999999994 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.100000000000001 110.893 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.099999999999994 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.299999999999997 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.099999999999994 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 53.5 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.400000000000006 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' A' ' 62' ' ' ARG . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.576 ' HA ' HD21 ' B' ' 123' ' ' LEU . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.400000000000006 110.874 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 52.100000000000001 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.703 ' CB ' HD22 ' A' ' 69' ' ' LEU . 5.4 mm100 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.099999999999994 110.86 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.761 HD21 HD22 ' A' ' 45' ' ' LEU . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 110.935 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 32.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.891 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 70.200000000000003 110.919 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 27.2 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 39' ' ' HIS . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 111.085 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.299999999999997 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.100000000000001 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 111.109 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.100000000000001 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.895 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.299999999999997 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.099999999999994 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 72.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.400000000000006 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.200000000000003 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 55.399999999999999 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.299999999999997 110.946 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.847 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' LEU . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.876 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 111.134 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.041 HG12 HD11 ' B' ' 123' ' ' LEU . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.299999999999997 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 64.099999999999994 110.858 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' B' ' 123' ' ' LEU . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.944 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 72.200000000000003 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 65.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 65.5 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.299999999999997 110.721 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.299999999999997 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.400000000000006 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 71.200000000000003 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 71.299999999999997 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.200000000000003 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 111.193 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.443 ' CD ' HD12 ' B' ' 119' ' ' ILE . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.099999999999994 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD13 ' HB2' ' B' ' 122' ' ' GLN . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 53.299999999999997 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 110.889 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 111.113 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HA ' HD21 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.299999999999997 110.901 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.200000000000003 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 71' ' ' ARG . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.400000000000006 110.919 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 52.399999999999999 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.400000000000006 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 75' ' ' LEU . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 34.200000000000003 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.099999999999994 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 64.200000000000003 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.443 HD12 ' CD ' ' A' ' 62' ' ' ARG . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.299999999999997 111.102 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.826 ' HB2' HD13 ' A' ' 69' ' ' LEU . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 1.041 HD11 HG12 ' A' ' 41' ' ' VAL . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.200000000000003 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 73' ' ' GLU . 5.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.3 m120 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.200000000000003 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.099999999999994 110.824 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.299999999999997 111.1 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.299999999999997 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' HIS . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.099999999999994 110.913 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 111.092 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.200000000000003 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 111.099 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 110.843 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.200000000000003 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.099999999999994 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.400000000000006 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.5 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.299999999999997 110.824 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.100000000000001 111.11 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.200000000000003 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 32' ' ' GLU . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.909 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 64.5 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 17' ' ' LEU . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.200000000000003 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 62.100000000000001 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.099999999999994 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' B' ' 123' ' ' LEU . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.299999999999997 110.905 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.099999999999994 110.893 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.939 HG21 HD13 ' A' ' 61' ' ' ILE . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 72.400000000000006 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.099999999999994 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 53.100000000000001 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 40.299999999999997 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.100000000000001 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.299999999999997 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 61.200000000000003 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.200000000000003 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' HG13 ' A' ' 48' ' ' VAL . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.299999999999997 110.893 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.200000000000003 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.939 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 111.188 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.400000000000006 110.865 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 51.200000000000003 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.200000000000003 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.399999999999999 110.947 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 53.100000000000001 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' B' ' 123' ' ' LEU . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.399999999999999 110.933 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.299999999999997 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.200000000000003 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.100000000000001 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 65.299999999999997 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 64.200000000000003 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 62.100000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.100000000000001 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 53.399999999999999 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 51.299999999999997 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.299999999999997 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.574 ' O ' HD13 ' B' ' 123' ' ' LEU . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.200000000000003 111.166 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.200000000000003 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.465 ' HB3' HD13 ' A' ' 69' ' ' LEU . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.968 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.655 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.400000000000006 110.914 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.924 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.200000000000003 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.887 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.200000000000003 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 52.399999999999999 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.299999999999997 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.200000000000003 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 62.299999999999997 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.949 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.099999999999994 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.200000000000003 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.099999999999994 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 51.200000000000003 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.400000000000006 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 71.200000000000003 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.791 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.5 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.399999999999999 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 123' ' ' LEU . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.399999999999999 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.299999999999997 111.127 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.200000000000003 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.400000000000006 111.219 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.299999999999997 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 63.5 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.299999999999997 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.400000000000006 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.601 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.400000000000006 110.887 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.400000000000006 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 51.200000000000003 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 72.299999999999997 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.299999999999997 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 42.200000000000003 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 41' ' ' VAL . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.794 HG23 HG12 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.399999999999999 110.894 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.400000000000006 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' B' ' 122' ' ' GLN . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.299999999999997 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.299999999999997 111.096 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.099999999999994 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 34' ' ' LEU . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.099999999999994 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.099999999999994 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 34' ' ' LEU . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 73.299999999999997 110.915 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.400000000000006 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.299999999999997 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.099999999999994 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.299999999999997 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 66' ' ' THR . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 70.0 111.028 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.526 ' HG3' HD23 ' A' ' 45' ' ' LEU . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 71.299999999999997 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.831 ' HB2' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.200000000000003 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.762 HD21 HD22 ' A' ' 45' ' ' LEU . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.200000000000003 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 123' ' ' LEU . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.299999999999997 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 110.935 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.200000000000003 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.099999999999994 110.852 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.400000000000006 110.788 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.400000000000006 110.994 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.099999999999994 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 13' ' ' LYS . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.299999999999997 110.791 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 61.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.200000000000003 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 111.076 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.689 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.299999999999997 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 62.299999999999997 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 30.5 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.399999999999999 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.679 ' O ' HD13 ' A' ' 34' ' ' LEU . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.400000000000006 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 75' ' ' LEU . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.299999999999997 110.795 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 110.862 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.649 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 64.200000000000003 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 111.083 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.774 HG13 ' SG ' ' A' ' 65' ' ' CYS . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 53.399999999999999 110.922 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE ' ' A' ' 49' ' ' LYS . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.200000000000003 111.027 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 62.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 61' ' ' ILE . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.400000000000006 111.075 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.565 ' CE ' HD23 ' A' ' 45' ' ' LEU . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 70.400000000000006 110.791 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.299999999999997 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.099999999999994 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 32.200000000000003 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.299999999999997 111.04 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 33.100000000000001 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.400000000000006 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.299999999999997 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.200000000000003 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HG2' HG13 ' A' ' 48' ' ' VAL . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 74.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.299999999999997 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.399999999999999 111.095 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.854 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.200000000000003 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.774 ' SG ' HG13 ' A' ' 41' ' ' VAL . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.299999999999997 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 62.399999999999999 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.099999999999994 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 41' ' ' VAL . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.100000000000001 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 63.100000000000001 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.099999999999994 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 52.399999999999999 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.916 ' HB2' HD11 ' A' ' 34' ' ' LEU . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 110.902 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.299999999999997 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.399999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 80' ' ' LYS . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.299999999999997 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 79' ' ' LEU . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.200000000000003 110.924 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.100000000000001 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.299999999999997 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.400000000000006 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.099999999999994 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.400000000000006 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 69' ' ' LEU . 2.6 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.742 HD21 HG12 ' A' ' 41' ' ' VAL . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.892 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.099999999999994 110.871 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.299999999999997 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.400000000000006 110.866 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.989 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 13' ' ' LYS . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.816 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 54.200000000000003 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.400000000000006 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.299999999999997 110.839 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 61.299999999999997 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 62.299999999999997 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 30.5 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.399999999999999 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CD1' HD22 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.299999999999997 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.400000000000006 110.87 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 72' ' ' ALA . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.859 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 32' ' ' GLU . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.887 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 64.200000000000003 110.837 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 111.175 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.100000000000001 111.028 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG2' HD23 ' B' ' 123' ' ' LEU . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.099999999999994 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.864 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 53.399999999999999 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.200000000000003 110.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 70.200000000000003 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 62.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 44' ' ' PHE . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.400000000000006 111.02 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 70.400000000000006 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.299999999999997 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.099999999999994 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 32.200000000000003 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.299999999999997 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 33.100000000000001 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.400000000000006 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.299999999999997 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.200000000000003 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 74.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.299999999999997 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.652 ' O ' HD13 ' B' ' 119' ' ' ILE . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.099999999999994 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.200000000000003 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.64 ' SG ' HG13 ' A' ' 41' ' ' VAL . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.299999999999997 110.852 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.399999999999999 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.099999999999994 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.100000000000001 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.099999999999994 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.399999999999999 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.099999999999994 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.299999999999997 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.399999999999999 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.099999999999994 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.299999999999997 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.200000000000003 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 61.100000000000001 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.299999999999997 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.099999999999994 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 62' ' ' ARG . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 110.959 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.400000000000006 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.099999999999994 110.864 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.200000000000003 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.437 ' O ' HG12 ' B' ' 128' ' ' VAL . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.126 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 69' ' ' LEU . 4.7 mt -66.05 -43.88 86.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.01 84.4 0.94 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 54.299999999999997 112.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 125' ' ' ALA . 12.2 p -157.87 133.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 61.100000000000001 111.076 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 65.099999999999994 110.892 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.400000000000006 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.200000000000003 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 70.200000000000003 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 61.299999999999997 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 111.031 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.400000000000006 110.762 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 43.299999999999997 111.022 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 51.299999999999997 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.400000000000006 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.299999999999997 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 65.400000000000006 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.832 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.099999999999994 111.1 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.400000000000006 110.912 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.200000000000003 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.299999999999997 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 34' ' ' LEU . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.200000000000003 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 61.5 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.099999999999994 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.833 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.400000000000006 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.400000000000006 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 61' ' ' ILE . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.299999999999997 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.200000000000003 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.299999999999997 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.399999999999999 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.200000000000003 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.400000000000006 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.099999999999994 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.200000000000003 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' NZ ' ' HB1' ' A' ' 52' ' ' ALA . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.399999999999999 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 52.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.299999999999997 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' CD ' HD12 ' B' ' 119' ' ' ILE . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.399999999999999 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.737 ' SG ' HG13 ' A' ' 41' ' ' VAL . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.100000000000001 110.874 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.200000000000003 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' CYS . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 54.100000000000001 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.200000000000003 111.072 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.299999999999997 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.399999999999999 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 64.099999999999994 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 54.299999999999997 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.479 ' O ' HD12 ' B' ' 123' ' ' LEU . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.498 ' HB3' HD13 ' A' ' 69' ' ' LEU . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.200000000000003 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 119' ' ' ILE . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.29 -44.07 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.85 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.46 133.63 11.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.672 -0.775 . . . . 61.299999999999997 112.455 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -176.78 135.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 72.200000000000003 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.217 -0.896 . . . . 72.099999999999994 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.299999999999997 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.200000000000003 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.099999999999994 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.100000000000001 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 62.399999999999999 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 51.100000000000001 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.099999999999994 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.200000000000003 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.200000000000003 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 55.299999999999997 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.299999999999997 111.104 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD12 ' HB1' ' A' ' 72' ' ' ALA . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.200000000000003 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.893 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.944 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 70.400000000000006 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 34.200000000000003 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.888 HG12 HD21 ' B' ' 123' ' ' LEU . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.100000000000001 111.043 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.299999999999997 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 51.399999999999999 110.89 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.099999999999994 110.936 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 110.96 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.012 HG21 HD13 ' A' ' 61' ' ' ILE . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 61.100000000000001 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.100000000000001 111.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.65 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.400000000000006 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 70.5 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.200000000000003 110.486 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 65.299999999999997 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.012 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 60.100000000000001 111.205 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.904 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.200000000000003 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.200000000000003 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' A' ' 41' ' ' VAL . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' CB ' ' B' ' 122' ' ' GLN . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 110.885 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.099999999999994 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 75' ' ' LEU . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.932 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.400000000000006 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.100000000000001 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 72.099999999999994 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 HD22 ' A' ' 34' ' ' LEU . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.400000000000006 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.792 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.099999999999994 111.186 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.299999999999997 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.742 ' CB ' HD13 ' A' ' 69' ' ' LEU . 7.7 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.916 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.888 HD21 HG12 ' A' ' 41' ' ' VAL . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 60.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 60.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.400000000000006 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.01 -31.37 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.299999999999997 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -78.61 -31.2 46.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 72.299999999999997 112.471 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.09 127.36 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 73.099999999999994 111.061 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 73.400000000000006 110.871 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' HB2' HG12 ' A' ' 47' ' ' VAL . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.299999999999997 111.083 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.299999999999997 110.915 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.099999999999994 110.721 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.099999999999994 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 111.089 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.099999999999994 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.299999999999997 111.13 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.099999999999994 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.200000000000003 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.200000000000003 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 35.399999999999999 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.099999999999994 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 62.200000000000003 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.399999999999999 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.200000000000003 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 32' ' ' GLU . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.856 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.399999999999999 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.200000000000003 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.299999999999997 110.866 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.400000000000006 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 10' ' ' ASN . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.071 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 61' ' ' ILE . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.200000000000003 111.093 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.200000000000003 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.299999999999997 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 24.100000000000001 111.079 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.400000000000006 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.400000000000006 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 64.299999999999997 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 44.200000000000003 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.299999999999997 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.400000000000006 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.200000000000003 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.0 111.198 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.099999999999994 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.200000000000003 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 53.100000000000001 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.099999999999994 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 123' ' ' LEU . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.844 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.099999999999994 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 53.100000000000001 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 79' ' ' LEU . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.299999999999997 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 74.200000000000003 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 75' ' ' LEU . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 70.299999999999997 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 72.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.686 ' O ' HD23 ' B' ' 123' ' ' LEU . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.400000000000006 111.057 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.099999999999994 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 65.099999999999994 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 119' ' ' ILE . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 64.400000000000006 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 128' ' ' VAL . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.200000000000003 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 69' ' ' LEU . 2.7 mt -66.01 -32.35 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.299999999999997 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.68 56.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.100000000000001 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.419 HG12 ' O ' ' B' ' 125' ' ' ALA . 11.5 p -110.26 -30.83 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.400000000000006 111.136 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.278 -0.867 . . . . 55.299999999999997 110.939 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 15' ' ' ILE . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 71.299999999999997 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.200000000000003 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 HD23 ' A' ' 11' ' ' LEU . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 39' ' ' HIS . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.965 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 70.299999999999997 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.299999999999997 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.200000000000003 111.184 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.299999999999997 110.854 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.099999999999994 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.299999999999997 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.200000000000003 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.100000000000001 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.11 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.802 HD12 ' HB1' ' A' ' 72' ' ' ALA . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.299999999999997 110.832 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.299999999999997 110.865 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.099999999999994 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 110.928 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.078 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.299999999999997 111.048 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 64.099999999999994 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.934 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD12 ' CD2' ' B' ' 123' ' ' LEU . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.200000000000003 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.299999999999997 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 44' ' ' PHE . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.200000000000003 111.172 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.200000000000003 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 72.200000000000003 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.200000000000003 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 54.100000000000001 111.176 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.099999999999994 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 54.299999999999997 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.200000000000003 110.781 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.400000000000006 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 53.299999999999997 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.717 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 54.200000000000003 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.553 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.099999999999994 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.524 ' CB ' HG13 ' A' ' 41' ' ' VAL . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.100000000000001 110.922 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.831 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.200000000000003 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' B' ' 122' ' ' GLN . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.200000000000003 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.869 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.802 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 63.399999999999999 111.067 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.099999999999994 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.400000000000006 110.918 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.099999999999994 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.400000000000006 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 55.100000000000001 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.200000000000003 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.200000000000003 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 45' ' ' LEU . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.099999999999994 111.075 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' B' ' 123' ' ' LEU . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.824 ' HB2' HD13 ' A' ' 69' ' ' LEU . 8.9 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.100000000000001 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.681 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.835 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.53 ' N ' HD12 ' B' ' 123' ' ' LEU . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.911 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 128' ' ' VAL . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.299999999999997 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 122' ' ' GLN . 4.3 mm? -65.99 -31.11 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.52 69.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.82 -0.705 . . . . 63.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 125' ' ' ALA . 28.4 t -103.4 137.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 61.399999999999999 111.071 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.221 -0.895 . . . . 74.099999999999994 110.93 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 60.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.399999999999999 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.100000000000001 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.400000000000006 111.074 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 52.399999999999999 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.299999999999997 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 39' ' ' HIS . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.931 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.299999999999997 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.299999999999997 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.099999999999994 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.200000000000003 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.099999999999994 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.400000000000006 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.099999999999994 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.299999999999997 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.099999999999994 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 51.200000000000003 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 34' ' ' LEU . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 60.299999999999997 110.942 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.099999999999994 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.723 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.200000000000003 111.14 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.747 HG13 ' SG ' ' A' ' 65' ' ' CYS . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.299999999999997 111.051 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.200000000000003 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.975 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.04 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.299999999999997 111.129 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 65.099999999999994 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.200000000000003 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 111.376 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.299999999999997 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 22.5 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.200000000000003 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.099999999999994 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.099999999999994 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.200000000000003 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.299999999999997 111.178 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.399999999999999 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' HG13 ' A' ' 41' ' ' VAL . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.099999999999994 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.299999999999997 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.400000000000006 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 65' ' ' CYS . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.299999999999997 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.400000000000006 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.299999999999997 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 54.399999999999999 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.200000000000003 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 75' ' ' LEU . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 62.200000000000003 110.959 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.099999999999994 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.400000000000006 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 62.200000000000003 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.400000000000006 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.495 ' O ' HD12 ' B' ' 123' ' ' LEU . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.174 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.299999999999997 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.099999999999994 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 54.299999999999997 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 41' ' ' VAL . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.933 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.299999999999997 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.299999999999997 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 69' ' ' LEU . 64.3 mt -65.96 -34.82 78.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.200000000000003 110.959 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.86 29.8 9.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 61.299999999999997 112.476 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.49 130.0 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 55.299999999999997 111.159 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.256 -0.878 . . . . 75.099999999999994 110.895 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HG ' HG11 ' A' ' 47' ' ' VAL . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.099999999999994 110.9 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.299999999999997 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.299999999999997 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.299999999999997 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.100000000000001 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.299999999999997 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 20' ' ' LYS . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.200000000000003 110.864 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 24.199999999999999 111.116 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.619 ' HD2' HD22 ' A' ' 36' ' ' LEU . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.400000000000006 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.299999999999997 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.100000000000001 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.200000000000003 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 73.099999999999994 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.100000000000001 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.299999999999997 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 54.299999999999997 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.5 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.299999999999997 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.400000000000006 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD22 ' HD2' ' A' ' 20' ' ' LYS . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.200000000000003 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.299999999999997 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.299999999999997 111.06 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.768 ' HG2' HD23 ' B' ' 123' ' ' LEU . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.768 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.399999999999999 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD22 ' B' ' 123' ' ' LEU . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.299999999999997 111.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.400000000000006 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 11' ' ' LEU . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 111.054 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.032 HG21 HD13 ' A' ' 61' ' ' ILE . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.099999999999994 111.149 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.099999999999994 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.099999999999994 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.299999999999997 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 71.099999999999994 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 65.299999999999997 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.200000000000003 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.032 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' B' ' 119' ' ' ILE . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.100000000000001 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 44.299999999999997 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLU . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 110.884 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' THR . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.400000000000006 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.299999999999997 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD21 HD12 ' B' ' 123' ' ' LEU . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.859 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.099999999999994 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' HD21 ' B' ' 126' ' ' LEU . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 53.399999999999999 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.299999999999997 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.200000000000003 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 70.099999999999994 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.299999999999997 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.668 ' O ' HD13 ' B' ' 123' ' ' LEU . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.200000000000003 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 63.200000000000003 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.445 ' CB ' HD13 ' A' ' 69' ' ' LEU . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 63.100000000000001 110.837 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 42' ' ' GLN . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.099999999999994 110.812 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.099999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.466 ' O ' HG22 ' B' ' 128' ' ' VAL . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 51.200000000000003 111.057 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 126' ' ' LEU . 12.4 mt -65.92 -31.11 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.935 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.52 -28.4 64.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 41.299999999999997 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 125' ' ' ALA . 31.2 m -98.67 -179.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 45.200000000000003 111.183 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.201 -0.904 . . . . 54.100000000000001 110.841 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' A' ' 47' ' ' VAL . 9.6 m120 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.200000000000003 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 34.200000000000003 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.299999999999997 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 52.399999999999999 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 65.299999999999997 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 52.299999999999997 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.100000000000001 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.400000000000006 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' HD13 ' A' ' 36' ' ' LEU . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 41.5 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 54.100000000000001 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.400000000000006 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 62.5 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.200000000000003 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.299999999999997 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.200000000000003 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 20' ' ' LYS . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.299999999999997 110.93 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' HD12 ' A' ' 34' ' ' LEU . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.299999999999997 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 17' ' ' LEU . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 110.867 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 53.200000000000003 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.856 HG11 ' HG ' ' A' ' 69' ' ' LEU . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' B' ' 123' ' ' LEU . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.845 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.299999999999997 110.974 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 123' ' ' LEU . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.200000000000003 110.868 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.200000000000003 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 10' ' ' ASN . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.096 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.995 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.099999999999994 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 34.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 54.299999999999997 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.400000000000006 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.299999999999997 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 63.399999999999999 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.665 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.400000000000006 111.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.099999999999994 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.096 HD13 HG21 ' A' ' 48' ' ' VAL . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.099999999999994 111.185 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.099999999999994 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.658 ' CB ' HG13 ' A' ' 41' ' ' VAL . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.200000000000003 110.788 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.661 HG23 HG12 ' B' ' 119' ' ' ILE . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.854 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.100000000000001 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.856 ' HG ' HG11 ' A' ' 41' ' ' VAL . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.848 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.400000000000006 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.200000000000003 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' HD21 ' A' ' 34' ' ' LEU . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.200000000000003 111.114 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 45.299999999999997 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' A' ' 34' ' ' LEU . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 40.299999999999997 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.099999999999994 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 53.0 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.200000000000003 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 52.299999999999997 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.299999999999997 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 53.5 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.100000000000001 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.661 HG12 HG23 ' A' ' 66' ' ' THR . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 70.299999999999997 111.106 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.399999999999999 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.811 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.893 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.772 HD21 HD12 ' A' ' 45' ' ' LEU . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.099999999999994 110.918 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.299999999999997 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.03 -43.35 87.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.94 130.36 5.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 52.399999999999999 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -170.19 135.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 74.299999999999997 111.06 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.25 -0.881 . . . . 71.299999999999997 110.917 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.099999999999994 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.299999999999997 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.200000000000003 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.200000000000003 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 42.399999999999999 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.400000000000006 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.299999999999997 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.099999999999994 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.400000000000006 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.399999999999999 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.836 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 63.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 54.5 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 53.299999999999997 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 70.299999999999997 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.200000000000003 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.399999999999999 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.299999999999997 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.896 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.299999999999997 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.100000000000001 111.073 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 37' ' ' TYR . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.108 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.754 ' HB3' HD11 ' B' ' 123' ' ' LEU . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 60.200000000000003 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 53.299999999999997 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.200000000000003 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 44' ' ' PHE . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 HD13 ' A' ' 61' ' ' ILE . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 52.399999999999999 110.893 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.200000000000003 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.400000000000006 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.099999999999994 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.099999999999994 110.78 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.200000000000003 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 63.399999999999999 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.400000000000006 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.200000000000003 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG2' HG13 ' A' ' 48' ' ' VAL . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 110.91 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.299999999999997 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 54.200000000000003 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.05 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.5 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.863 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 53.399999999999999 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.099999999999994 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.099999999999994 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.399999999999999 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 41' ' ' VAL . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.099999999999994 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.099999999999994 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 64.299999999999997 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.200000000000003 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.099999999999994 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD11 ' OD2' ' A' ' 25' ' ' ASP . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.200000000000003 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.099999999999994 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.299999999999997 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 70.400000000000006 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.200000000000003 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.099999999999994 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.445 HD12 ' CD ' ' A' ' 62' ' ' ARG . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.061 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 53.299999999999997 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.299999999999997 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 69' ' ' LEU . 3.6 mm-40 -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 54.299999999999997 110.815 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 64.400000000000006 110.89 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.455 ' O ' HG13 ' B' ' 128' ' ' VAL . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.906 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 128' ' ' VAL . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.299999999999997 111.083 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.03 -32.08 73.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.299999999999997 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.48 62.59 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 63.399999999999999 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.455 HG13 ' O ' ' B' ' 124' ' ' LYS . 31.4 m -132.09 -179.78 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 63.299999999999997 111.1 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.295 -0.86 . . . . 75.299999999999997 110.893 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.099999999999994 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.400000000000006 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 65.5 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.399999999999999 111.133 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.400000000000006 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.099999999999994 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.299999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.299999999999997 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.299999999999997 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 43.399999999999999 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.200000000000003 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.299999999999997 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.200000000000003 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.400000000000006 111.086 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.400000000000006 110.889 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.200000000000003 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 62.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.200000000000003 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 60.399999999999999 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 111.111 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' B' ' 123' ' ' LEU . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.299999999999997 111.067 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.642 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.299999999999997 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.400000000000006 110.841 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD12 HD22 ' B' ' 123' ' ' LEU . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.993 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 63.399999999999999 111.003 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.936 HG22 HD12 ' A' ' 61' ' ' ILE . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 54.399999999999999 111.122 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.400000000000006 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.299999999999997 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.400000000000006 111.197 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 62.299999999999997 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.099999999999994 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 71.400000000000006 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.299999999999997 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.627 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.200000000000003 111.109 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.099999999999994 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 48' ' ' VAL . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.14 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' B' ' 119' ' ' ILE . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.100000000000001 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' HG13 ' A' ' 41' ' ' VAL . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 64.299999999999997 110.901 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.299999999999997 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.299999999999997 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.099999999999994 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.099999999999994 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 34' ' ' LEU . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.882 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 63.5 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.399999999999999 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 63.299999999999997 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.099999999999994 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 53.100000000000001 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 50.399999999999999 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.099999999999994 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.099999999999994 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' A' ' 62' ' ' ARG . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.106 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.808 ' HB3' HD13 ' A' ' 69' ' ' LEU . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.099999999999994 110.908 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.8 HD12 HD11 ' A' ' 69' ' ' LEU . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.200000000000003 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.100000000000001 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt -78.75 -31.13 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLY . . . . . 0.539 ' O ' HG13 ' B' ' 128' ' ' VAL . . . -89.77 50.78 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 75.099999999999994 112.498 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.539 HG13 ' O ' ' B' ' 127' ' ' GLY . 6.0 m -158.94 30.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 61.200000000000003 111.118 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.253 -0.879 . . . . 63.399999999999999 110.898 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.299999999999997 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.400000000000006 110.708 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.099999999999994 111.147 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 13' ' ' LYS . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.099999999999994 110.918 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 50.399999999999999 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.100000000000001 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.299999999999997 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.400000000000006 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.400000000000006 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.099999999999994 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.299999999999997 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.702 ' OE2' HD22 ' A' ' 79' ' ' LEU . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.827 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.200000000000003 111.121 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.400000000000006 110.894 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.400000000000006 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.399999999999999 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.592 ' HG2' HD23 ' B' ' 123' ' ' LEU . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.862 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.099999999999994 110.89 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 45' ' ' LEU . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.88 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 HD13 ' A' ' 61' ' ' ILE . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.299999999999997 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 71.099999999999994 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.299999999999997 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 64.299999999999997 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.200000000000003 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.299999999999997 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.099999999999994 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 61.200000000000003 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.399999999999999 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 55.299999999999997 110.976 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.099999999999994 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.200000000000003 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.018 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 111.181 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 50.399999999999999 110.919 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.100000000000001 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' HD12 ' A' ' 69' ' ' LEU . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.099999999999994 110.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.400000000000006 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 122' ' ' GLN . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.099999999999994 110.938 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.399999999999999 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.200000000000003 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.200000000000003 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.400000000000006 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.702 HD22 ' OE2' ' A' ' 31' ' ' GLU . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.184 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 74.0 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.099999999999994 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.299999999999997 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.100000000000001 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.586 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.400000000000006 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 54.200000000000003 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.533 ' HB3' HD13 ' A' ' 69' ' ' LEU . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.099999999999994 110.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.592 HD23 ' HG2' ' A' ' 42' ' ' GLN . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.299999999999997 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 24.5 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.08 -35.5 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 51.299999999999997 110.907 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.8 87.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 73.299999999999997 112.525 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.5 129.61 58.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 74.099999999999994 111.096 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.226 -0.892 . . . . 62.399999999999999 110.889 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.200000000000003 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 11' ' ' LEU . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.200000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.400000000000006 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.400000000000006 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.400000000000006 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.575 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 111.074 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.400000000000006 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 64.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.299999999999997 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.099999999999994 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.299999999999997 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.399999999999999 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.100000000000001 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.887 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.400000000000006 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.601 ' HG2' HD23 ' B' ' 123' ' ' LEU . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.200000000000003 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.673 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 60.399999999999999 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG21 HD13 ' A' ' 61' ' ' ILE . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 73.099999999999994 110.959 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.200000000000003 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.099999999999994 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 70.200000000000003 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 62.299999999999997 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.400000000000006 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.099999999999994 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 41.100000000000001 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.400000000000006 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 72.299999999999997 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.093 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.099999999999994 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 70.099999999999994 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 61.299999999999997 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.399999999999999 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.299999999999997 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 61.200000000000003 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.200000000000003 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 71.400000000000006 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.781 HD13 ' CB ' ' B' ' 122' ' ' GLN . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.399999999999999 111.108 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.200000000000003 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' HD3' HD23 ' B' ' 126' ' ' LEU . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.099999999999994 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.400000000000006 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.399999999999999 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.400000000000006 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.299999999999997 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.299999999999997 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.299999999999997 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.441 HD12 ' CD ' ' A' ' 62' ' ' ARG . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.099999999999994 111.105 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.400000000000006 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.781 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.299999999999997 110.931 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 41' ' ' VAL . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.200000000000003 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.542 ' O ' HG22 ' B' ' 128' ' ' VAL . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.489 HD23 ' HD3' ' A' ' 76' ' ' LYS . 3.2 mt -65.95 -31.24 72.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 65.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.92 25.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 74.099999999999994 112.493 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 124' ' ' LYS . 31.2 m -76.82 148.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 70.400000000000006 111.171 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.269 -0.872 . . . . 74.299999999999997 110.88 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.299999999999997 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.400000000000006 110.896 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.099999999999994 110.996 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.299999999999997 110.985 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.400000000000006 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.818 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.399999999999999 111.099 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.400000000000006 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.400000000000006 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.299999999999997 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.200000000000003 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' GLN . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.099999999999994 111.074 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.299999999999997 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.400000000000006 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.299999999999997 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 24.100000000000001 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.200000000000003 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.299999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.641 ' O ' HG12 ' A' ' 41' ' ' VAL . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.5 110.919 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.898 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 111.169 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.833 HG22 HD11 ' B' ' 123' ' ' LEU . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.099999999999994 111.107 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 41.5 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.200000000000003 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.91 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.099999999999994 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.099999999999994 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 44' ' ' PHE . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.099999999999994 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.086 HG21 HD13 ' A' ' 61' ' ' ILE . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.299999999999997 111.138 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.100000000000001 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.400000000000006 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 58' ' ' LYS . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.299999999999997 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.099999999999994 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 73.200000000000003 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 54.299999999999997 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.299999999999997 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' HB1' ' A' ' 52' ' ' ALA . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.086 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.200000000000003 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 41' ' ' VAL . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 61.299999999999997 110.81 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.399999999999999 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.400000000000006 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 51.5 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 79' ' ' LEU . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.200000000000003 110.942 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.400000000000006 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 75' ' ' LEU . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.941 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 73.299999999999997 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.400000000000006 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.400000000000006 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.200000000000003 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.299999999999997 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.400000000000006 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.200000000000003 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.825 ' CB ' HD13 ' A' ' 69' ' ' LEU . 6.4 mm-40 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.200000000000003 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.833 HD11 HG22 ' A' ' 41' ' ' VAL . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.200000000000003 110.851 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 128' ' ' VAL . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.399999999999999 111.109 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 38' ' ' GLN . 7.9 mt -67.41 -31.39 71.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.16 74.86 2.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.681 -0.771 . . . . 71.5 112.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 125' ' ' ALA . 21.5 t -141.0 110.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 73.299999999999997 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.197 -0.906 . . . . 75.299999999999997 110.887 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.200000000000003 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HG ' HG11 ' A' ' 47' ' ' VAL . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 110.94 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.400000000000006 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 111.068 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.400000000000006 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 62.399999999999999 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 36' ' ' LEU . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.299999999999997 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 111.08 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.099999999999994 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 61.299999999999997 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.100000000000001 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.299999999999997 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 43.399999999999999 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 51.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.099999999999994 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.299999999999997 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 50.399999999999999 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 110.899 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 32' ' ' GLU . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.400000000000006 110.882 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.741 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.400000000000006 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 37' ' ' TYR . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.299999999999997 111.09 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 54.5 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.200000000000003 110.859 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.399999999999999 110.976 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.933 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' PHE . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 111.164 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.138 HG22 HD12 ' A' ' 61' ' ' ILE . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 61.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.400000000000006 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.099999999999994 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.200000000000003 111.14 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 53.299999999999997 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.099999999999994 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.299999999999997 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 61.299999999999997 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' ILE . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.400000000000006 110.831 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.400000000000006 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.138 HD12 HG22 ' A' ' 48' ' ' VAL . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 111.178 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.200000000000003 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.099999999999994 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG13 ' A' ' 41' ' ' VAL . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.099999999999994 110.947 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' B' ' 122' ' ' GLN . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.099999999999994 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.400000000000006 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.400000000000006 111.087 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 79' ' ' LEU . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.400000000000006 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.299999999999997 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 34' ' ' LEU . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.879 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.099999999999994 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.099999999999994 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.099999999999994 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.400000000000006 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.200000000000003 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.200000000000003 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.708 ' HB3' HD13 ' A' ' 69' ' ' LEU . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.299999999999997 110.977 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 45' ' ' LEU . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.100000000000001 110.91 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt -65.97 -33.74 76.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 73.299999999999997 110.987 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.26 78.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 55.399999999999999 112.562 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.72 179.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 63.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.275 -0.869 . . . . 61.0 110.884 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 52.5 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 47' ' ' VAL . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.299999999999997 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.200000000000003 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.400000000000006 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 55.200000000000003 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 39' ' ' HIS . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 63.100000000000001 110.889 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 111.119 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.200000000000003 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 61.200000000000003 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.099999999999994 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.399999999999999 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.901 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.200000000000003 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.299999999999997 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.099999999999994 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.099999999999994 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 41.200000000000003 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.400000000000006 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 75' ' ' LEU . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 110.923 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.299999999999997 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.200000000000003 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.765 ' HB3' HD13 ' A' ' 17' ' ' LEU . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.299999999999997 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.200000000000003 111.121 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 65' ' ' CYS . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.200000000000003 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.866 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 64.400000000000006 110.897 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.200000000000003 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 11' ' ' LEU . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 63.299999999999997 111.186 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.067 HG21 HD13 ' A' ' 61' ' ' ILE . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 72.5 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.400000000000006 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 43.399999999999999 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.399999999999999 111.133 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.200000000000003 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.400000000000006 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.400000000000006 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.067 HD13 HG21 ' A' ' 48' ' ' VAL . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 53.5 111.109 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.200000000000003 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' HG13 ' A' ' 41' ' ' VAL . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.200000000000003 110.887 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 62.399999999999999 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.099999999999994 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' B' ' 122' ' ' GLN . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.5 110.884 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 51.399999999999999 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.099999999999994 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD12 ' A' ' 34' ' ' LEU . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 44.100000000000001 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.400000000000006 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.099999999999994 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.299999999999997 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.400000000000006 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 61.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 70.200000000000003 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.399999999999999 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 71.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.200000000000003 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.569 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.399999999999999 110.959 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 64.299999999999997 110.876 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.545 HD11 HE22 ' B' ' 122' ' ' GLN . 11.5 mt -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.299999999999997 110.925 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.8 122.01 2.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 62.299999999999997 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 128' ' ' VAL . 11.0 p -137.34 115.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 72.200000000000003 111.049 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.167 -0.92 . . . . 53.399999999999999 110.952 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.200000000000003 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.299999999999997 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.399999999999999 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 36' ' ' LEU . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.200000000000003 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 111.067 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 60.299999999999997 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.835 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.200000000000003 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.299999999999997 110.867 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 65.099999999999994 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.400000000000006 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 60.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 111.035 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LYS . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.200000000000003 110.885 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.826 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.099999999999994 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.400000000000006 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG11 HD11 ' A' ' 69' ' ' LEU . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.099999999999994 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 62.399999999999999 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD22 HD21 ' B' ' 123' ' ' LEU . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 73.200000000000003 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.200000000000003 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 62.399999999999999 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.098 HG21 HD13 ' A' ' 61' ' ' ILE . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.200000000000003 111.252 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.099999999999994 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.200000000000003 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 63.399999999999999 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.099999999999994 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.400000000000006 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.099999999999994 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.200000000000003 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.299999999999997 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.200000000000003 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.299999999999997 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.099999999999994 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.098 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.299999999999997 111.178 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.200000000000003 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.75 ' SG ' HG13 ' A' ' 41' ' ' VAL . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 110.774 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 62.200000000000003 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.299999999999997 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.200000000000003 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG11 ' A' ' 41' ' ' VAL . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 53.200000000000003 110.913 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.200000000000003 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 75' ' ' LEU . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.099999999999994 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.100000000000001 110.893 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.099999999999994 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.299999999999997 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.099999999999994 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 53.5 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.400000000000006 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' A' ' 62' ' ' ARG . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.576 ' HA ' HD21 ' B' ' 123' ' ' LEU . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.400000000000006 110.874 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 52.100000000000001 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.703 ' CB ' HD22 ' A' ' 69' ' ' LEU . 5.4 mm100 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.099999999999994 110.86 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.761 HD21 HD22 ' A' ' 45' ' ' LEU . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 110.935 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 32.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.99 -37.01 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.68 86.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.299999999999997 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.34 133.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 53.299999999999997 111.093 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.216 -0.897 . . . . 74.400000000000006 110.873 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.400000000000006 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 70.200000000000003 110.919 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 27.2 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 39' ' ' HIS . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 111.085 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.299999999999997 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.100000000000001 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 111.109 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.100000000000001 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.895 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.299999999999997 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.099999999999994 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 72.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.400000000000006 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.200000000000003 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 55.399999999999999 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.299999999999997 110.946 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.200000000000003 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.847 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' LEU . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.876 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 111.134 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.041 HG12 HD11 ' B' ' 123' ' ' LEU . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.299999999999997 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 64.099999999999994 110.858 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' B' ' 123' ' ' LEU . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.944 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 72.200000000000003 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 65.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 65.5 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.299999999999997 110.721 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.299999999999997 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.400000000000006 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 71.200000000000003 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 71.299999999999997 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.200000000000003 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 111.193 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' CD ' HD12 ' B' ' 119' ' ' ILE . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.400000000000006 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.099999999999994 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD13 ' HB2' ' B' ' 122' ' ' GLN . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 53.299999999999997 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 110.889 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 111.113 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HA ' HD21 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.299999999999997 110.901 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.200000000000003 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 71' ' ' ARG . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.400000000000006 110.919 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 52.399999999999999 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.400000000000006 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 75' ' ' LEU . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 34.200000000000003 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.099999999999994 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 64.200000000000003 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.443 HD12 ' CD ' ' A' ' 62' ' ' ARG . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.299999999999997 111.102 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.826 ' HB2' HD13 ' A' ' 69' ' ' LEU . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 1.041 HD11 HG12 ' A' ' 41' ' ' VAL . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.200000000000003 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 73' ' ' GLU . 5.3 mt -79.99 -32.47 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.99 77.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 72.200000000000003 112.578 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.87 -30.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.200000000000003 111.123 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.239 -0.886 . . . . 52.5 110.884 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.3 m120 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.200000000000003 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.099999999999994 110.824 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.299999999999997 111.1 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.299999999999997 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' HIS . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.099999999999994 110.913 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 111.092 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.200000000000003 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 111.099 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 110.843 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.200000000000003 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.099999999999994 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.400000000000006 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.5 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.299999999999997 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.299999999999997 110.824 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.100000000000001 111.11 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.200000000000003 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 32' ' ' GLU . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.909 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 64.5 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 17' ' ' LEU . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.200000000000003 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 62.100000000000001 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.099999999999994 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' B' ' 123' ' ' LEU . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.299999999999997 110.905 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.099999999999994 110.893 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.099999999999994 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.939 HG21 HD13 ' A' ' 61' ' ' ILE . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 72.400000000000006 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.299999999999997 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.099999999999994 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 53.100000000000001 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 40.299999999999997 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.100000000000001 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.299999999999997 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 61.200000000000003 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.200000000000003 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' HG13 ' A' ' 48' ' ' VAL . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.299999999999997 110.893 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.200000000000003 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.939 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 111.188 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.400000000000006 110.865 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 51.200000000000003 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.200000000000003 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.399999999999999 110.947 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 53.100000000000001 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' B' ' 123' ' ' LEU . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.399999999999999 110.933 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.299999999999997 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.200000000000003 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.100000000000001 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 65.299999999999997 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 64.200000000000003 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 62.100000000000001 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.100000000000001 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 53.399999999999999 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 51.299999999999997 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.299999999999997 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.574 ' O ' HD13 ' B' ' 123' ' ' LEU . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.200000000000003 111.166 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.200000000000003 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.465 ' HB3' HD13 ' A' ' 69' ' ' LEU . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.968 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.655 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.400000000000006 110.914 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.97 -43.7 82.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.099999999999994 110.924 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.39 67.23 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.399999999999999 112.517 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.05 -30.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 72.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.225 -0.893 . . . . 73.099999999999994 110.86 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.200000000000003 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 11' ' ' LEU . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.099999999999994 110.887 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.200000000000003 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 52.399999999999999 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.299999999999997 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.200000000000003 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 62.299999999999997 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.949 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.099999999999994 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.200000000000003 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.099999999999994 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 51.200000000000003 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.400000000000006 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 71.200000000000003 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.791 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.5 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.399999999999999 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 123' ' ' LEU . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.399999999999999 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.299999999999997 111.127 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.200000000000003 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.400000000000006 111.219 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.299999999999997 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 63.5 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.299999999999997 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.400000000000006 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.400000000000006 110.887 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.400000000000006 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 51.200000000000003 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 72.299999999999997 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.299999999999997 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 42.200000000000003 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 41' ' ' VAL . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.794 HG23 HG12 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.399999999999999 110.894 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.400000000000006 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' B' ' 122' ' ' GLN . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.299999999999997 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.299999999999997 111.096 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.099999999999994 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 34' ' ' LEU . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.099999999999994 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.099999999999994 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 34' ' ' LEU . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 73.299999999999997 110.915 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.400000000000006 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.299999999999997 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.099999999999994 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.299999999999997 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 66' ' ' THR . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 70.0 111.028 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.526 ' HG3' HD23 ' A' ' 45' ' ' LEU . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 71.299999999999997 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.831 ' HB2' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.200000000000003 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.762 HD21 HD22 ' A' ' 45' ' ' LEU . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.200000000000003 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 123' ' ' LEU . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.299999999999997 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.0 -31.2 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.08 127.32 4.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 74.5 112.489 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -177.32 138.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 71.200000000000003 111.072 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.18 -0.914 . . . . 72.200000000000003 110.953 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.200000000000003 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.099999999999994 110.852 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.400000000000006 110.788 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.400000000000006 110.994 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.099999999999994 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 13' ' ' LYS . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.299999999999997 110.791 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 61.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.200000000000003 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 111.076 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.689 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.299999999999997 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 62.299999999999997 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 30.5 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.399999999999999 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.679 ' O ' HD13 ' A' ' 34' ' ' LEU . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.400000000000006 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 75' ' ' LEU . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.299999999999997 110.795 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 110.862 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.649 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 64.200000000000003 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 111.083 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.774 HG13 ' SG ' ' A' ' 65' ' ' CYS . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.099999999999994 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 53.399999999999999 110.922 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE ' ' A' ' 49' ' ' LYS . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.200000000000003 111.027 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 62.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 61' ' ' ILE . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.400000000000006 111.075 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' CE ' HD23 ' A' ' 45' ' ' LEU . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 70.400000000000006 110.791 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.299999999999997 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.099999999999994 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 32.200000000000003 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.299999999999997 111.04 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 33.100000000000001 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.400000000000006 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.299999999999997 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.200000000000003 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HG2' HG13 ' A' ' 48' ' ' VAL . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 74.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.299999999999997 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.399999999999999 111.095 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.854 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.200000000000003 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.774 ' SG ' HG13 ' A' ' 41' ' ' VAL . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.299999999999997 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 62.399999999999999 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.099999999999994 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 41' ' ' VAL . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.100000000000001 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 63.100000000000001 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.099999999999994 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 52.399999999999999 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.099999999999994 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.916 ' HB2' HD11 ' A' ' 34' ' ' LEU . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 110.902 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.299999999999997 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.399999999999999 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 80' ' ' LYS . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.299999999999997 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 79' ' ' LEU . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.200000000000003 110.924 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.100000000000001 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.299999999999997 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.400000000000006 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.099999999999994 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.400000000000006 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 69' ' ' LEU . 2.6 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.742 HD21 HG12 ' A' ' 41' ' ' VAL . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.099999999999994 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -31.26 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.93 92.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 54.299999999999997 112.473 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.07 153.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 61.100000000000001 111.103 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.322 -0.847 . . . . 65.099999999999994 110.907 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.432 HD22 HG13 ' A' ' 47' ' ' VAL . 2.4 t30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.2 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.1 110.871 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.3 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.4 110.866 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.989 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 13' ' ' LYS . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.3 110.816 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.4 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.4 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.839 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 61.3 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 62.3 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.2 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 30.5 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CD1' HD22 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.87 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 72' ' ' ALA . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.859 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 32' ' ' GLU . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.887 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.837 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.175 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.028 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG2' HD23 ' B' ' 123' ' ' LEU . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.864 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 53.4 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.2 110.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 70.2 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.432 HG13 HD22 ' A' ' 10' ' ' ASN . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 62.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 44' ' ' PHE . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.4 111.02 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 70.4 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.3 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 32.2 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.3 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 33.1 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.4 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.3 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.2 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 74.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.4 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.652 ' O ' HD13 ' B' ' 119' ' ' ILE . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.2 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.64 ' SG ' HG13 ' A' ' 41' ' ' VAL . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.852 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.4 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.4 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.1 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.1 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.2 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 61.1 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.3 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.1 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 62' ' ' ARG . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.959 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.4 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.864 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.126 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 69' ' ' LEU . 4.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.923 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.4 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 70.2 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 61.3 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.031 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.762 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 43.3 111.022 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 51.3 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.2 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.4 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.3 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 65.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.832 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.1 111.1 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.912 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 34' ' ' LEU . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.2 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 61.5 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.833 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 61' ' ' ILE . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.3 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.2 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.3 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.4 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.2 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.4 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.1 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.2 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' NZ ' ' HB1' ' A' ' 52' ' ' ALA . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.4 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 52.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.3 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' CD ' HD12 ' B' ' 119' ' ' ILE . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.4 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.737 ' SG ' HG13 ' A' ' 41' ' ' VAL . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.1 110.874 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.2 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' CYS . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 54.1 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.072 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.4 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 64.1 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 54.3 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.479 ' O ' HD12 ' B' ' 123' ' ' LEU . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.2 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.2 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.498 ' HB3' HD13 ' A' ' 69' ' ' LEU . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 119' ' ' ILE . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.85 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.3 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.1 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 62.4 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 51.1 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.2 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 55.3 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.104 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD12 ' HB1' ' A' ' 72' ' ' ALA . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.893 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.944 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 70.4 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 34.2 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.888 HG12 HD21 ' B' ' 123' ' ' LEU . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.1 111.043 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 51.4 110.89 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.936 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.96 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.012 HG21 HD13 ' A' ' 61' ' ' ILE . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 61.1 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.1 111.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.65 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.4 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 70.5 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.2 110.486 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 65.3 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.012 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 60.1 111.205 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.904 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.2 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' A' ' 41' ' ' VAL . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' CB ' ' B' ' 122' ' ' GLN . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.3 110.885 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.1 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 75' ' ' LEU . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.932 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.1 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 72.1 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 HD22 ' A' ' 34' ' ' LEU . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.4 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.3 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.792 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.1 111.186 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.3 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.742 ' CB ' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.916 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.888 HD21 HG12 ' A' ' 41' ' ' VAL . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 60.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 60.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.886 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.408 ' HB2' HG12 ' A' ' 47' ' ' VAL . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.3 111.083 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.3 110.915 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.1 110.721 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.1 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.4 111.089 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.1 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.13 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 35.4 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.1 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 32' ' ' GLU . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.856 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.2 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.3 110.866 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 10' ' ' ASN . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.071 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 61' ' ' ILE . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.2 111.093 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.2 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.3 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 24.1 111.079 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.4 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.4 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 64.3 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 44.2 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.3 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.2 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.0 111.198 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 53.1 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 123' ' ' LEU . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.844 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 53.1 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 79' ' ' LEU . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.3 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 74.2 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 75' ' ' LEU . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 70.3 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 72.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.686 ' O ' HD23 ' B' ' 123' ' ' LEU . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.4 111.057 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.2 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 65.1 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 119' ' ' ILE . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 64.4 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.145 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 69' ' ' LEU . 2.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 15' ' ' ILE . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.1 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 71.3 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.2 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 HD23 ' A' ' 11' ' ' LEU . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 39' ' ' HIS . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.965 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.3 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 70.3 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.2 111.184 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.3 110.854 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.4 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.3 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.4 111.11 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.802 HD12 ' HB1' ' A' ' 72' ' ' ALA . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.3 110.832 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.865 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.1 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.928 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.078 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.3 111.048 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 64.1 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.934 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD12 ' CD2' ' B' ' 123' ' ' LEU . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.2 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.3 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 44' ' ' PHE . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.2 111.172 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.2 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 72.2 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.2 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 54.1 111.176 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.1 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 54.3 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.2 110.781 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.4 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 53.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.717 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 54.2 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.553 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.524 ' CB ' HG13 ' A' ' 41' ' ' VAL . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.1 110.922 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 HE22 ' B' ' 122' ' ' GLN . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.831 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.2 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' B' ' 122' ' ' GLN . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.869 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.802 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 63.4 111.067 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.1 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.4 110.918 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.1 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 55.1 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.2 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.2 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 45' ' ' LEU . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.1 111.075 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' B' ' 123' ' ' LEU . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 62.3 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.824 ' HB2' HD13 ' A' ' 69' ' ' LEU . 8.3 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.1 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.681 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.835 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . 0.53 ' N ' HD12 ' B' ' 123' ' ' LEU . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.911 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 122' ' ' GLN . 4.3 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 60.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.4 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.1 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.074 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 52.4 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 39' ' ' HIS . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.931 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.3 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.3 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.1 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.4 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.1 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.1 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 51.2 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 34' ' ' LEU . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 60.3 110.942 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.723 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.2 111.14 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.747 HG13 ' SG ' ' A' ' 65' ' ' CYS . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.051 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.975 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.04 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.129 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 65.1 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.2 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.3 111.376 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.3 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 22.5 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.2 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.1 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.1 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.3 111.178 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.4 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' HG13 ' A' ' 41' ' ' VAL . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 65' ' ' CYS . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.1 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 54.4 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.2 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 75' ' ' LEU . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.959 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.1 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 62.2 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.4 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.495 ' O ' HD12 ' B' ' 123' ' ' LEU . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.174 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.3 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.1 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 54.3 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 41' ' ' VAL . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.933 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.3 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.3 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 69' ' ' LEU . 64.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.2 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HG ' HG11 ' A' ' 47' ' ' VAL . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.1 110.9 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.3 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.3 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.3 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.1 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.3 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 20' ' ' LYS . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.864 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 24.2 111.116 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.619 ' HD2' HD22 ' A' ' 36' ' ' LEU . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.4 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.1 110.937 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.2 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.1 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.3 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 54.3 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.5 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.3 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD22 ' HD2' ' A' ' 20' ' ' LYS . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.2 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.3 111.06 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.768 ' HG2' HD23 ' B' ' 123' ' ' LEU . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.768 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.4 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD22 ' B' ' 123' ' ' LEU . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.4 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 11' ' ' LEU . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.4 111.054 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG21 HD13 ' A' ' 61' ' ' ILE . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.1 111.149 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.1 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.1 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.3 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 71.1 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 65.3 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.2 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.032 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' B' ' 119' ' ' ILE . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.1 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 44.3 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLU . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.884 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' THR . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.3 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD21 HD12 ' B' ' 123' ' ' LEU . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.859 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' HD21 ' B' ' 126' ' ' LEU . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 53.4 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.3 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.2 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 70.1 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.3 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.668 ' O ' HD13 ' B' ' 123' ' ' LEU . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.142 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.2 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 63.2 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.445 ' CB ' HD13 ' A' ' 69' ' ' LEU . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.837 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 42' ' ' GLN . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.1 110.812 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 51.2 111.057 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 126' ' ' LEU . 12.4 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.935 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' A' ' 47' ' ' VAL . 33.3 m-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.2 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 34.2 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.3 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 65.3 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.1 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' HD13 ' A' ' 36' ' ' LEU . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.2 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 41.5 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 54.1 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.2 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.4 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 62.5 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 20' ' ' LYS . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.93 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' HD12 ' A' ' 34' ' ' LEU . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 17' ' ' LEU . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 74.1 110.867 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 53.2 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.856 HG11 ' HG ' ' A' ' 69' ' ' LEU . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' B' ' 123' ' ' LEU . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.845 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.974 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 123' ' ' LEU . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.868 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 10' ' ' ASN . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.096 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.4 110.995 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.1 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 34.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 54.3 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.4 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.3 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.665 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.4 111.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.1 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.096 HD13 HG21 ' A' ' 48' ' ' VAL . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.1 111.185 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.658 ' CB ' HG13 ' A' ' 41' ' ' VAL . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.788 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.661 HG23 HG12 ' B' ' 119' ' ' ILE . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.854 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.1 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.856 ' HG ' HG11 ' A' ' 41' ' ' VAL . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.848 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.4 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.2 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' HD21 ' A' ' 34' ' ' LEU . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.2 111.114 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 45.3 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' A' ' 34' ' ' LEU . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 40.3 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 53.0 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 52.3 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.3 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 53.5 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.661 HG12 HG23 ' A' ' 66' ' ' THR . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 70.3 111.106 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.4 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.811 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.893 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.772 HD21 HD12 ' A' ' 45' ' ' LEU . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.918 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.1 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.3 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.2 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.2 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 42.4 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.3 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.1 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.836 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 63.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 54.5 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 53.3 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 70.3 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.2 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.4 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.3 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.896 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.3 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.1 111.073 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 37' ' ' TYR . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.108 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.754 ' HB3' HD11 ' B' ' 123' ' ' LEU . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 60.2 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 53.3 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 44' ' ' PHE . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 HD13 ' A' ' 61' ' ' ILE . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 52.4 110.893 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.2 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.4 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.1 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.78 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 63.4 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.4 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.1 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.2 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG2' HG13 ' A' ' 48' ' ' VAL . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.91 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.3 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 54.2 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.05 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.5 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.863 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 53.4 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.1 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.4 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 41' ' ' VAL . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 64.3 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.1 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.436 HD11 ' OD2' ' A' ' 25' ' ' ASP . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.1 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.3 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 70.4 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.2 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.1 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.445 HD12 ' CD ' ' A' ' 62' ' ' ARG . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.2 111.061 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 53.3 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.3 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 54.3 110.815 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.89 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.906 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.3 111.083 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.875 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.424 ' ND2' ' CG ' ' A' ' 46' ' ' HIS . 4.2 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.1 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.4 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 65.5 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.4 111.133 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.1 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.3 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.3 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 43.4 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.2 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.3 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.086 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.4 110.889 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.2 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 62.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 60.4 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.111 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' B' ' 123' ' ' LEU . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.3 111.067 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.642 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.3 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.841 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD12 HD22 ' B' ' 123' ' ' LEU . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.993 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.424 ' CG ' ' ND2' ' A' ' 10' ' ' ASN . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 63.4 111.003 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.936 HG22 HD12 ' A' ' 61' ' ' ILE . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 54.4 111.122 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.4 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.3 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.4 111.197 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 62.3 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.1 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 71.4 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.3 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.627 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.109 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 48' ' ' VAL . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.14 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' B' ' 119' ' ' ILE . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.1 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' HG13 ' A' ' 41' ' ' VAL . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.901 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.3 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 34' ' ' LEU . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.2 110.882 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 63.5 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.4 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 63.3 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.1 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 53.1 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 50.4 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.1 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' A' ' 62' ' ' ARG . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 52.3 111.106 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.808 ' HB3' HD13 ' A' ' 69' ' ' LEU . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.908 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.8 HD12 HD11 ' A' ' 69' ' ' LEU . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.935 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.3 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.708 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.1 111.147 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 13' ' ' LYS . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.918 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 50.4 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.1 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.1 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.3 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.702 ' OE2' HD22 ' A' ' 79' ' ' LEU . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.827 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.121 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.894 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.4 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.1 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.592 ' HG2' HD23 ' B' ' 123' ' ' LEU . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.862 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.89 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 45' ' ' LEU . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.88 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 HD13 ' A' ' 61' ' ' ILE . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.3 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 71.1 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 64.3 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.2 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.3 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.1 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 61.2 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.4 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 55.3 110.976 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.1 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.2 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.018 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.181 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 50.4 110.919 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' HD12 ' A' ' 69' ' ' LEU . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.1 110.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.4 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 122' ' ' GLN . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.938 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.4 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.2 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.4 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.702 HD22 ' OE2' ' A' ' 31' ' ' GLU . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.184 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 74.0 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.1 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.3 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.1 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.586 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.4 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 54.2 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.3 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.533 ' HB3' HD13 ' A' ' 69' ' ' LEU . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.592 HD23 ' HG2' ' A' ' 42' ' ' GLN . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 24.5 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 51.3 110.907 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.2 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.2 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.2 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.4 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.575 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 70.4 111.074 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 64.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.3 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.1 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.3 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.4 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.887 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.2 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.4 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.2 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.601 ' HG2' HD23 ' B' ' 123' ' ' LEU . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.2 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.673 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 60.4 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG21 HD13 ' A' ' 61' ' ' ILE . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.959 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.2 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.1 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 70.2 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 62.3 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.4 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.1 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 41.1 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 72.3 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.093 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.1 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 70.1 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 61.3 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.3 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 61.2 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.2 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 71.4 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.781 HD13 ' CB ' ' B' ' 122' ' ' GLN . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.4 111.108 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' HD3' HD23 ' B' ' 126' ' ' LEU . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.1 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.4 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.4 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.3 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.3 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.3 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.441 HD12 ' CD ' ' A' ' 62' ' ' ARG . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.1 111.105 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.4 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.781 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.3 110.931 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 41' ' ' VAL . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.489 HD23 ' HD3' ' A' ' 76' ' ' LYS . 3.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 65.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.3 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.896 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.1 110.996 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.985 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 74.2 110.818 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.4 111.099 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.3 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.2 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' GLN . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.1 111.074 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.3 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.4 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.3 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 24.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.641 ' O ' HG12 ' A' ' 41' ' ' VAL . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.5 110.919 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.898 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.3 111.169 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.833 HG22 HD11 ' B' ' 123' ' ' LEU . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.1 111.107 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 41.5 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.91 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.1 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 44' ' ' PHE . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.1 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.086 HG21 HD13 ' A' ' 61' ' ' ILE . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.3 111.138 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.1 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 58' ' ' LYS . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.3 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.1 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 73.2 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 54.3 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' HB1' ' A' ' 52' ' ' ALA . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.086 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.2 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 41' ' ' VAL . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 61.3 110.81 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 51.5 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 79' ' ' LEU . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.942 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.4 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 75' ' ' LEU . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.941 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 73.3 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.4 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.4 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.2 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.3 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.825 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.8 mm100 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.2 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.833 HD11 HG22 ' A' ' 41' ' ' VAL . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.2 110.851 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.4 111.109 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 38' ' ' GLN . 7.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.896 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 46' ' ' HIS . 3.0 m120 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.2 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HG ' HG11 ' A' ' 47' ' ' VAL . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.94 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.1 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.4 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.068 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.4 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 36' ' ' LEU . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.08 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.1 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 61.3 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.3 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 43.4 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 51.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.1 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.3 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 50.4 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.899 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 32' ' ' GLU . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.882 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.741 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.4 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 37' ' ' TYR . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.09 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 54.5 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.859 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.976 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' ND2' ' A' ' 10' ' ' ASN . 2.0 t60 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' PHE . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.164 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.138 HG22 HD12 ' A' ' 61' ' ' ILE . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 61.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.4 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.1 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.2 111.14 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 53.3 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.1 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.3 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 61.3 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' ILE . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.831 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.4 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.138 HD12 HG22 ' A' ' 48' ' ' VAL . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.2 111.178 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.2 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG13 ' A' ' 41' ' ' VAL . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.947 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' B' ' 122' ' ' GLN . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.4 111.087 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 79' ' ' LEU . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.3 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 34' ' ' LEU . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.879 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.1 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.1 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.4 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.708 ' HB3' HD13 ' A' ' 69' ' ' LEU . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.3 110.977 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 45' ' ' LEU . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.91 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 73.3 110.987 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 52.5 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 47' ' ' VAL . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.1 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.4 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 55.2 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 39' ' ' HIS . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 63.1 110.889 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.119 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.2 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.2 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.3 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.1 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.1 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 41.2 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.4 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 75' ' ' LEU . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.923 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.3 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.2 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.765 ' HB3' HD13 ' A' ' 17' ' ' LEU . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.3 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.2 111.121 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 65' ' ' CYS . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.866 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 64.4 110.897 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 11' ' ' LEU . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 63.3 111.186 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.067 HG21 HD13 ' A' ' 61' ' ' ILE . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.1 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 72.5 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.4 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 43.4 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.4 111.133 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.2 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.752 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.4 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.067 HD13 HG21 ' A' ' 48' ' ' VAL . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 53.5 111.109 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.4 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.2 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' HG13 ' A' ' 41' ' ' VAL . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.887 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 62.4 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' B' ' 122' ' ' GLN . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.5 110.884 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 51.4 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.4 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD12 ' A' ' 34' ' ' LEU . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 44.1 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.1 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.3 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 61.3 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 70.2 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 71.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.2 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.569 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.4 110.959 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 64.3 110.876 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 64.3 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.545 HD11 HE22 ' B' ' 122' ' ' GLN . 11.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.3 110.925 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.2 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.4 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.4 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 36' ' ' LEU . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.2 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.067 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.835 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.2 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.3 110.867 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 65.1 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.4 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 60.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.035 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.1 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LYS . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.885 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.826 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.4 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG11 HD11 ' A' ' 69' ' ' LEU . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 62.4 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD22 HD21 ' B' ' 123' ' ' LEU . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 62.4 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.098 HG21 HD13 ' A' ' 61' ' ' ILE . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.2 111.252 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.1 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.2 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 63.4 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.1 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.4 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.1 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.2 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.3 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.2 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.098 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.3 111.178 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.2 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.75 ' SG ' HG13 ' A' ' 41' ' ' VAL . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.774 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 62.2 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.3 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG11 ' A' ' 41' ' ' VAL . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 53.2 110.913 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.2 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 75' ' ' LEU . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.1 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.1 110.893 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.1 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.1 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 53.5 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.4 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' A' ' 62' ' ' ARG . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.576 ' HA ' HD21 ' B' ' 123' ' ' LEU . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.4 110.874 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 52.1 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.703 ' CB ' HD22 ' A' ' 69' ' ' LEU . 17.5 mm-40 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.86 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.761 HD21 HD22 ' A' ' 45' ' ' LEU . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.935 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 32.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.4 110.891 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.4 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 70.2 110.919 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 39' ' ' HIS . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.085 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.3 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.109 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.895 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.3 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.1 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 72.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 55.4 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.946 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.847 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' LEU . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.876 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.1 111.134 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.041 HG12 HD11 ' B' ' 123' ' ' LEU . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 64.1 110.858 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' B' ' 123' ' ' LEU . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.944 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 72.2 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 65.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 65.5 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.3 110.721 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.3 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.4 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.1 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 71.3 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.2 111.193 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.443 ' CD ' HD12 ' B' ' 119' ' ' ILE . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.4 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.1 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD13 ' HB2' ' B' ' 122' ' ' GLN . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.889 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.113 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HA ' HD21 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.901 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 71' ' ' ARG . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.919 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 52.4 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.4 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 75' ' ' LEU . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 34.2 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 64.2 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 64.4 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.443 HD12 ' CD ' ' A' ' 62' ' ' ARG . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.3 111.102 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 63.4 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.826 ' HB2' HD13 ' A' ' 69' ' ' LEU . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 1.041 HD11 HG12 ' A' ' 41' ' ' VAL . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 73' ' ' GLU . 5.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.2 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.824 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.1 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.3 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' HIS . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.1 110.913 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.3 111.092 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.099 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.843 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.2 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.4 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.5 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.824 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.1 111.11 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.2 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 32' ' ' GLU . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.909 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 64.5 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 17' ' ' LEU . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.2 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 62.1 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.1 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' B' ' 123' ' ' LEU . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.3 110.905 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.1 110.953 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.893 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.939 HG21 HD13 ' A' ' 61' ' ' ILE . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 72.4 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.3 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.1 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 53.1 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 40.3 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.1 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.3 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 61.2 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.2 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' HG13 ' A' ' 48' ' ' VAL . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.893 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.2 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.939 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.188 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.865 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 51.2 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.4 110.947 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 53.1 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' B' ' 123' ' ' LEU . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.4 110.933 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 65.3 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 64.2 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.1 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 53.4 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 51.3 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.3 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.574 ' O ' HD13 ' B' ' 123' ' ' LEU . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.2 111.166 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.1 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.2 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.465 ' HB3' HD13 ' A' ' 69' ' ' LEU . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.968 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.655 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.4 110.914 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 71.1 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.924 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.887 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.2 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 52.4 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.3 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.2 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.949 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.1 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.2 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.1 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 51.2 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.4 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 71.2 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.791 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.5 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.4 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 123' ' ' LEU . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.4 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.127 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.2 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.3 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 63.5 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.3 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.4 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.601 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.4 110.887 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.4 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 51.2 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 72.3 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.3 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 42.2 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 41' ' ' VAL . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.794 HG23 HG12 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.4 110.894 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' B' ' 122' ' ' GLN . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.3 111.096 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.1 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 34' ' ' LEU . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.1 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 34' ' ' LEU . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.915 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.3 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.1 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.3 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 66' ' ' THR . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 70.0 111.028 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.526 ' HG3' HD23 ' A' ' 45' ' ' LEU . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.831 ' HB2' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.762 HD21 HD22 ' A' ' 45' ' ' LEU . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.2 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 123' ' ' LEU . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.3 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.935 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.2 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.1 110.852 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.788 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.4 110.994 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 13' ' ' LYS . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.3 110.791 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 61.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.2 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.076 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.4 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.689 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 62.3 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 30.5 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.4 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.679 ' O ' HD13 ' A' ' 34' ' ' LEU . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 75' ' ' LEU . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.3 110.795 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.862 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.649 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.083 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.774 HG13 ' SG ' ' A' ' 65' ' ' CYS . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.1 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 53.4 110.922 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE ' ' A' ' 49' ' ' LYS . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.027 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.2 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 62.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 61' ' ' ILE . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.4 111.075 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.565 ' CE ' HD23 ' A' ' 45' ' ' LEU . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 70.4 110.791 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.3 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.1 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 32.2 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.3 111.04 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 33.1 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.4 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.2 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HG2' HG13 ' A' ' 48' ' ' VAL . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 74.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.3 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.4 111.095 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.854 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.2 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.774 ' SG ' HG13 ' A' ' 41' ' ' VAL . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 62.4 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.1 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 41' ' ' VAL . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.1 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 52.4 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.916 ' HB2' HD11 ' A' ' 34' ' ' LEU . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.902 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.3 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.4 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 80' ' ' LYS . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.3 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 79' ' ' LEU . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.2 110.924 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.1 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.3 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.1 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.4 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 69' ' ' LEU . 3.9 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.742 HD21 HG12 ' A' ' 41' ' ' VAL . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.4 110.892 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.432 HD22 HG13 ' A' ' 47' ' ' VAL . 2.4 t30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.823 0.344 . . . . 71.2 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 15' ' ' ILE . 10.3 mt -61.23 -49.58 76.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.252 -0.431 . . . . 72.1 110.871 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -55.02 -30.62 59.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 74.3 111.011 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.67 -32.31 63.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.068 -0.515 . . . . 74.4 110.866 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.87 82.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 72.5 111.171 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.4 mp -75.01 -43.22 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.989 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.76 -39.53 85.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.676 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 13' ' ' LYS . 5.8 mt -81.01 -31.28 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 71.3 110.816 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -77.25 -30.95 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.72 -45.62 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -64.42 -35.4 80.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.866 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -53.77 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.4 111.109 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.4 111.084 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.37 -31.71 70.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -80.06 -31.48 39.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.839 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -41.99 93.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 61.3 110.908 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -32.5 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 62.3 110.959 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.2 111.105 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.53 -27.72 3.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 30.5 112.51 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -59.82 155.08 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 63.4 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CD1' HD22 ' A' ' 75' ' ' LEU . 27.6 m-85 -140.8 -47.06 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -59.32 -52.0 67.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.87 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.92 -34.11 68.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 72' ' ' ALA . 60.7 tp -65.66 -46.73 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.859 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -65.02 -39.99 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 32' ' ' GLU . 9.3 mt -69.28 -33.44 73.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.887 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 m-85 -60.36 -53.95 51.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.837 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.82 -44.34 96.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -61.88 -47.88 83.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.36 -49.43 77.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.175 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.4 t -62.68 -32.97 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.028 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' HG2' HD23 ' B' ' 123' ' ' LEU . 5.0 mt-30 -60.09 -39.34 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -71.4 -33.93 69.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 72.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.864 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -60.58 -53.0 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 53.4 110.936 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.7 tp -70.69 -29.97 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.2 110.997 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -58.94 -51.71 68.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 70.2 111.032 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.432 HG13 HD22 ' A' ' 10' ' ' ASN . 27.0 m -65.61 -36.86 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 62.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 44' ' ' PHE . 37.6 t -64.81 -35.94 76.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.297 -0.411 . . . . 74.4 111.02 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.25 -31.48 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 70.4 110.984 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -118.23 29.29 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 75.3 111.162 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 80.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.857 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.82 102.57 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 32.2 111.177 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.56 -63.13 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.719 -0.673 . . . . 72.3 110.907 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.19 -165.91 10.59 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.639 -0.791 . . . . 33.1 112.201 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.89 -31.57 18.17 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.051 0.453 . . . . 75.4 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -60.34 -41.08 92.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.816 0.341 . . . . 74.3 110.671 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.95 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 64.2 111.391 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -68.16 -32.21 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 74.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.3 -32.07 70.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.605 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -54.96 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.39 -39.36 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.4 111.129 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.652 ' O ' HD13 ' B' ' 119' ' ' ILE . 7.8 mtm180 -61.1 -54.01 49.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.95 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 51.2 110.963 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -75.99 -30.87 58.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.64 ' SG ' HG13 ' A' ' 41' ' ' VAL . 34.7 m -68.2 -31.75 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.852 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -74.48 -46.67 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.4 110.935 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.9 -47.17 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.841 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -68.22 -41.94 80.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 75.1 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.6 mt -63.86 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.5 110.881 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.32 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -62.09 -40.29 95.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.918 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -59.96 -47.57 85.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.61 -31.97 71.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.4 110.891 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -71.74 -48.41 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 73.1 110.889 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 30' ' ' TYR . 78.3 mt -62.51 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.856 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -60.03 -36.49 77.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.868 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.11 -54.7 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 54.4 110.659 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.9 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 74.1 110.559 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.55 -39.01 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -85.51 -31.76 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 44.2 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 61.1 110.943 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.937 0.399 . . . . 72.3 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.97 -34.84 64.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.527 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.1 -49.27 12.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 70.1 110.909 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 62' ' ' ARG . 48.4 mt -61.84 -46.0 97.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.959 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.62 -44.27 96.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 74.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -65.19 -31.68 72.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 72.4 110.962 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -60.32 -47.16 87.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.899 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.54 -48.13 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.864 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.04 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.841 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.437 ' O ' HG12 ' B' ' 128' ' ' VAL . . . -72.17 -51.66 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.126 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.493 HD12 HD22 ' A' ' 69' ' ' LEU . 4.7 mt -66.05 -43.88 86.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.01 84.4 0.94 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 54.3 112.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 125' ' ' ALA . 12.2 p -157.87 133.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 61.1 111.076 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 65.1 110.892 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 75.4 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.3 mp -65.26 -49.41 69.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.998 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -30.89 66.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.843 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -32.65 40.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 70.2 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -52.06 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 61.3 111.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.6 mp -75.07 -43.12 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.031 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 73.0 110.814 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tt -80.54 -31.46 37.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.762 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -74.76 -36.18 62.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 43.3 111.022 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -69.66 -45.65 67.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 51.3 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -61.61 -35.84 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.2 110.958 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 62.5 111.071 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.68 81.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 70.4 111.038 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.92 -31.55 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.966 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 1.9 mp0 -77.73 -33.73 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.28 -44.18 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -80.96 -31.65 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.901 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.04 90.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.14 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.76 -28.29 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.3 112.53 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.12 156.76 14.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 73.5 110.906 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -142.64 -47.21 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -52.01 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 65.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.46 -32.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.832 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.75 -34.0 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 64.1 111.1 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -64.4 -53.62 45.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.912 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.96 -33.55 75.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 64.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mt -72.26 -36.53 69.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.867 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.1 m-85 -60.29 -41.79 94.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' HD22 ' A' ' 34' ' ' LEU . 36.7 mt-30 -71.03 -46.87 61.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.2 110.889 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -59.55 -43.5 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 75.1 110.954 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.89 -48.71 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 61.5 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.7 t -63.66 -32.99 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.021 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -62.37 -38.03 88.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.908 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.58 -34.04 67.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.833 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.93 -53.01 61.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.884 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.3 tp -63.08 -31.34 72.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.82 -55.06 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -61.58 -27.72 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.195 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 61' ' ' ILE . 34.4 t -74.12 -55.16 13.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.78 0.324 . . . . 73.3 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.87 -37.65 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -83.61 -30.94 26.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 63.2 110.978 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -143.02 77.45 1.57 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.5 111.028 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -87.15 86.37 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.257 -0.428 . . . . 74.3 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -105.95 127.44 53.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 62.4 111.059 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.91 148.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.925 -0.655 . . . . 75.2 112.634 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -31.42 31.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.004 0.431 . . . . 73.4 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -40.94 94.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.541 -0.3 . . . . 71.1 110.878 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.99 75.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 73.2 111.552 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' NZ ' ' HB1' ' A' ' 52' ' ' ALA . 16.3 mttt -60.12 -37.68 80.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.887 -0.597 . . . . 62.4 110.984 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -31.92 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.389 -0.369 . . . . 74.0 110.831 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -75.91 -55.09 5.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.348 -0.387 . . . . 52.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.92 -37.25 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.3 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' CD ' HD12 ' B' ' 119' ' ' ILE . 7.0 mtm180 -64.85 -53.21 50.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.19 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.097 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -81.04 -31.15 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 62.4 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.737 ' SG ' HG13 ' A' ' 41' ' ' VAL . 24.5 m -69.03 -33.93 74.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 62.1 110.874 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -75.96 -44.66 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.851 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -61.42 -44.45 97.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 53.2 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.37 -41.08 77.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' CYS . 18.7 mt -62.88 -47.59 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 64.5 110.868 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -31.69 70.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 54.1 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -65.86 -45.65 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -67.45 -33.28 74.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 73.2 111.072 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.88 -40.17 94.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.838 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -65.97 -46.06 79.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.898 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.97 -39.15 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.899 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -60.11 -34.11 73.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -54.96 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 52.4 110.692 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.86 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.962 -0.563 . . . . 64.1 110.543 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.71 -36.71 73.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -84.25 -53.98 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.937 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 54.3 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.78 -31.93 70.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.605 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.56 -40.64 66.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 70.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.479 ' O ' HD12 ' B' ' 123' ' ' LEU . 31.4 mt -70.26 -42.8 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 120.833 0.349 . . . . 74.2 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -46.92 88.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.39 . . . . 75.5 110.74 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -64.41 -35.86 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.2 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.498 ' HB3' HD13 ' A' ' 69' ' ' LEU . 1.4 mt-30 -60.3 -41.6 93.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 119' ' ' ILE . 3.6 mp -61.52 -51.03 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.38 -31.49 70.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.5 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.94 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.29 -44.07 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.85 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.46 133.63 11.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.455 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -176.78 135.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 72.2 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.217 -0.896 . . . . 72.1 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 75.3 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -69.1 -40.34 78.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 61.5 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -72.57 -38.22 67.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -66.47 -31.73 72.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.284 -0.416 . . . . 64.2 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -68.06 -49.85 58.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.92 -35.5 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 70.1 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 68.0 mt -72.12 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.93 -33.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -75.55 -37.9 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 54.1 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -74.55 -37.82 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.88 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -59.92 -51.27 70.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 74.3 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.31 79.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 62.4 111.078 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -32.39 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.895 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -76.29 -33.02 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.5 110.861 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.3 -44.4 95.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -80.97 -31.67 34.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 51.1 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.8 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.194 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.98 -28.12 2.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 75.2 112.562 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 82.7 m-20 -60.15 160.15 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 32.3 m-85 -143.09 -47.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.54 -51.92 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.85 -31.94 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 55.3 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.51 -39.72 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.104 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD12 ' HB1' ' A' ' 72' ' ' ALA . 39.5 tp -60.44 -51.94 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.71 -37.04 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 46.1 mt -68.13 -35.77 78.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.893 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.39 -50.3 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.944 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.75 -43.41 89.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 65.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -60.78 -45.81 92.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 70.4 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -60.02 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 34.2 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.888 HG12 HD21 ' B' ' 123' ' ' LEU . 28.8 t -63.26 -33.08 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.1 111.043 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.8 -42.58 99.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.2 m-85 -73.03 -33.95 66.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 51.4 110.89 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.64 -53.01 63.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.936 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 8.3 tp -67.57 -29.66 69.09 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.96 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.59 -53.77 54.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -65.98 -34.65 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.4 111.151 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.012 HG21 HD13 ' A' ' 61' ' ' ILE . 35.0 t -69.4 -35.94 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 71.0 111.167 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -86.64 -30.99 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.25 30.77 4.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.953 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.2 -67.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 61.1 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 60.53 78.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 61.1 111.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.65 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.35 131.63 42.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.092 -0.503 . . . . 64.0 111.043 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.26 160.29 0.05 OUTLIER Glycine 0 C--O 1.227 -0.319 0 C-N-CA 121.079 -0.582 . . . . 62.5 112.48 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.97 -42.18 14.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.562 0.22 . . . . 72.4 110.503 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -64.16 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 70.5 111.082 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . -60.96 -50.95 71.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.431 -0.349 . . . . 71.2 110.486 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.0 mtpm? -60.52 -35.95 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 64.5 111.007 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -37.1 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.775 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -69.11 -54.88 12.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 65.3 110.77 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.012 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -57.83 -38.57 66.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 60.1 111.205 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.9 mtm180 -61.64 -47.36 85.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.904 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.17 74.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 62.2 111.114 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -79.68 -31.55 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.913 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.554 ' SG ' HG13 ' A' ' 41' ' ' VAL . 63.8 m -68.0 -33.7 75.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.923 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 m -76.07 -42.96 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.91 -45.42 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.844 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 18.0 m-85 -67.44 -44.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' CB ' ' B' ' 122' ' ' GLN . 37.5 mt -60.39 -34.94 74.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 72.3 110.885 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -44.81 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 74.1 110.906 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 75' ' ' LEU . 7.4 ttt180 -61.5 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.932 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.77 -39.68 85.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 52.5 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -61.46 -37.22 82.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.843 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -32.13 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.33 -40.64 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.1 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -35.76 75.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.14 -55.49 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 63.5 110.718 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.08 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 72.1 110.683 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 HD22 ' A' ' 34' ' ' LEU . 20.0 mt -66.73 -41.39 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.926 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -77.79 -48.9 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 64.4 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.5 110.899 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 72.3 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -72.81 -31.74 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 71.5 110.703 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.63 -43.92 62.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.817 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.792 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.6 mt -68.06 -47.38 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 120.907 0.384 . . . . 75.1 111.186 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.7 -32.65 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -73.33 -31.63 64.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.394 -0.366 . . . . 74.3 110.485 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.742 ' CB ' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -61.73 -50.2 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.916 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.888 HD21 HG12 ' A' ' 41' ' ' VAL . 3.3 mp -60.28 -49.13 78.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 60.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -60.56 -31.49 70.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 60.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.97 -46.83 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.114 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.01 -31.37 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -78.61 -31.2 46.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 72.3 112.471 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.09 127.36 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 73.1 111.061 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 73.4 110.871 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' HB2' HG12 ' A' ' 47' ' ' VAL . 22.1 m120 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.796 0.331 . . . . 70.3 111.083 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -63.0 -37.74 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 72.3 110.915 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -62.01 -46.22 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.391 . . . . 73.1 110.721 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.6 -31.44 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 70.1 110.886 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.73 35.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 31.5 mm -70.97 -37.33 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.4 111.089 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.65 -40.02 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.1 110.91 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.49 -45.68 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -63.69 -40.75 97.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 75.3 111.13 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 t -67.62 -31.4 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 64.5 110.819 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -73.31 -38.39 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 74.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.27 -48.27 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.39 -37.54 77.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.092 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -37.01 79.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.903 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.28 -36.81 71.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.26 -53.39 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 35.4 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -62.53 -31.52 72.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 70.1 110.926 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -31.85 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.023 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.07 -28.16 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 73.1 112.51 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 79.8 m-20 -60.06 150.79 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 61.4 110.912 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 23.5 m-85 -138.67 -46.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.907 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -58.97 -52.08 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 62.2 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -69.6 -32.34 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.02 -34.01 70.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 64.5 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -55.14 22.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -62.1 -42.24 99.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 32' ' ' GLU . 29.6 mt -60.43 -34.32 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.856 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.3 m-85 -62.05 -53.83 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.926 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -59.87 -31.27 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -75.65 -34.59 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -76.78 -35.11 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.085 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.2 t -70.2 -42.58 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.144 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.98 -44.17 96.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.4 110.943 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.24 -36.62 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 75.2 110.767 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -58.46 -52.19 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 73.3 110.866 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -67.13 -29.5 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -57.74 -53.86 53.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 10' ' ' ASN . 7.5 m -64.12 -34.92 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 71.5 111.071 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 61' ' ' ILE . 31.3 t -63.53 -36.0 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 72.2 111.093 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -72.19 -31.34 65.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.2 110.883 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -116.73 30.47 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.918 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -177.75 79.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 74.3 110.876 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -116.26 116.8 28.43 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.092 -0.504 . . . . 24.1 111.079 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.84 -65.42 0.98 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.053 -0.521 . . . . 73.4 110.901 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.98 -143.96 4.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.066 -0.587 . . . . 73.4 112.865 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.71 -31.46 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.155 0.502 . . . . 73.5 111.046 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.68 95.51 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.32 -0.4 . . . . 64.3 110.739 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.14 68.05 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.976 -0.557 . . . . 44.2 110.995 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 22.2 mttm -62.76 -31.78 72.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.33 -0.396 . . . . 62.3 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.812 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -74.29 -55.09 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 61.2 110.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.024 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.73 -37.23 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 61.0 111.198 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mtm105 -69.85 -44.21 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.888 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.62 76.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -79.87 -36.09 37.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.1 110.784 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 m -61.23 -35.65 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.739 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.98 -42.78 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 53.1 110.824 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.96 -42.32 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -73.98 -31.62 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.839 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD21 HD22 ' B' ' 123' ' ' LEU . 13.7 mt -64.02 -49.01 74.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.844 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -47.05 87.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.1 110.853 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -33.75 76.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.45 95.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 53.1 111.123 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -71.46 -31.92 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.905 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -59.96 -52.94 63.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.994 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 79' ' ' LEU . 39.2 mt -60.38 -41.76 94.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.4 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -60.09 -34.99 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -54.36 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 61.3 110.615 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -31.94 70.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 74.2 110.54 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 75' ' ' LEU . 5.2 mt -68.13 -40.09 82.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 60.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -31.52 23.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.855 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.882 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 70.3 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.02 -49.98 45.99 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.182 -0.463 . . . . 73.5 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -50.87 70.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 72.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.686 ' O ' HD23 ' B' ' 123' ' ' LEU . 44.3 mt -61.18 -33.83 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 72.4 111.057 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -71.05 -48.99 49.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.956 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -65.8 -34.08 77.33 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.157 -0.474 . . . . 72.2 111.216 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.27 -45.39 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 65.1 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 119' ' ' ILE . 3.4 mm? -60.8 -46.52 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 64.4 110.835 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.21 -31.12 69.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.94 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 128' ' ' VAL . . . -68.66 -40.62 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.145 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 69' ' ' LEU . 2.7 mt -66.01 -32.35 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.68 56.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 63.1 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.419 HG12 ' O ' ' B' ' 125' ' ' ALA . 11.5 p -110.26 -30.83 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 74.4 111.136 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.278 -0.867 . . . . 55.3 110.939 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.341 . . . . 71.5 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 15' ' ' ILE . 1.2 tt -70.19 -35.91 74.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 73.1 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -60.76 -49.84 75.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.5 110.56 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -37.67 88.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.072 -0.513 . . . . 71.3 110.863 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.97 67.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 55.2 111.102 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 HD23 ' A' ' 11' ' ' LEU . 26.6 mm -74.93 -39.5 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.83 -44.89 88.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 39' ' ' HIS . 44.4 mt -61.25 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 70.2 110.965 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -62.66 -47.93 81.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.3 111.105 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t -65.96 -31.59 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 70.3 110.891 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -76.99 -32.5 57.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.901 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -72.97 -34.7 66.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 50.2 111.184 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.71 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 53.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.82 -42.28 93.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.2 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -63.45 -35.2 79.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 70.3 110.854 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.54 -50.84 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.868 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -30.21 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.871 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.11 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.4 111.087 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.19 -29.35 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.662 -0.78 . . . . 74.3 112.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -80.44 92.45 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 74.5 110.921 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -69.7 -55.79 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.898 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.67 -30.4 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.806 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.09 -39.59 68.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.743 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -71.88 -34.05 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.4 111.11 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.802 HD12 ' HB1' ' A' ' 72' ' ' ALA . 6.6 tp -60.6 -52.7 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 70.3 110.832 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.28 -38.41 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.875 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 12.8 mt -72.85 -31.39 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.3 110.865 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -60.11 -51.4 69.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 72.1 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.74 -44.92 95.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.919 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.7 m-70 -60.37 -36.01 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.928 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.22 -48.88 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.078 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.6 t -63.06 -35.82 73.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 53.3 111.048 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.7 -38.87 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 64.1 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.06 -33.86 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.9 -52.97 63.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.934 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD12 ' CD2' ' B' ' 123' ' ' LEU . 23.3 mt -69.67 -30.17 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.2 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -58.66 -48.05 82.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.713 0.292 . . . . 75.3 110.912 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -68.65 -35.53 70.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 71.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 44' ' ' PHE . 29.9 t -64.44 -35.91 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 61.2 111.172 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -70.21 -36.93 74.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 63.2 110.904 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -110.15 29.45 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.309 -0.405 . . . . 72.2 111.006 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -177.12 79.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.391 -0.368 . . . . 75.2 110.917 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -124.13 137.65 54.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 54.1 111.176 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.5 80.04 0.11 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.787 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.98 -143.19 12.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.877 -0.678 . . . . 65.1 112.676 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -148.12 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 75.5 111.006 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -60.3 -33.74 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 54.3 110.927 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.76 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.866 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 5.5 mttt -70.05 -32.6 70.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 74.2 110.781 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -67.38 -32.12 72.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 75.4 110.823 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.1 p -75.18 -55.08 6.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.27 -0.423 . . . . 53.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.717 HD13 HG21 ' A' ' 48' ' ' VAL . 2.5 pp -59.3 -39.96 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 54.2 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.553 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.0 mtm180 -61.07 -54.08 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 75.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.29 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 61.1 mttt -80.23 -31.63 38.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.524 ' CB ' HG13 ' A' ' 41' ' ' VAL . 61.5 m -69.46 -40.27 77.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 54.1 110.922 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 HE22 ' B' ' 122' ' ' GLN . 26.9 m -70.13 -41.8 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.831 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.88 -52.88 63.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 75.2 110.875 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.4 m-85 -64.76 -33.42 75.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' B' ' 122' ' ' GLN . 9.8 mt -67.04 -48.17 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -62.33 -38.25 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.899 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.02 -48.01 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.3 110.869 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.802 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -62.2 -36.44 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 63.4 111.067 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -60.23 -38.27 82.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -34.46 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 72.1 110.889 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.5 mp -74.93 -41.88 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.4 110.918 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.872 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.2 -55.07 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 71.5 110.701 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -31.91 70.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.026 -0.534 . . . . 73.1 110.588 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -31.89 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -85.13 -48.43 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 64.5 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 55.1 110.923 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.938 0.399 . . . . 55.2 110.96 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.88 -33.64 70.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.5 110.783 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.83 -51.17 69.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 62.2 110.684 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 45' ' ' LEU . 34.9 mt -63.69 -34.2 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.788 0.327 . . . . 75.1 111.075 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' B' ' 123' ' ' LEU . 1.5 tm-20 -69.63 -31.1 69.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.411 -0.358 . . . . 74.5 110.909 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -74.9 -32.68 61.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 62.3 111.047 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.824 ' HB2' HD13 ' A' ' 69' ' ' LEU . 8.3 mt-30 -64.19 -54.04 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.1 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.681 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.3 pp -60.45 -36.89 79.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.835 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.53 ' N ' HD12 ' B' ' 123' ' ' LEU . 18.1 tttp -61.81 -31.42 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.911 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 128' ' ' VAL . . . -76.59 -30.39 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.078 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 122' ' ' GLN . 4.3 mm? -65.99 -31.11 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.52 69.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.82 -0.705 . . . . 63.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 125' ' ' ALA . 28.4 t -103.4 137.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 61.4 111.071 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.221 -0.895 . . . . 74.1 110.93 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.797 0.332 . . . . 60.5 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -34.13 69.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.321 -0.399 . . . . 60.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -64.53 -48.37 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.474 . . . . 62.4 110.975 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -31.74 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 61.1 110.898 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.59 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.074 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.3 mm -74.88 -40.86 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 52.4 111.109 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.1 -36.61 82.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.898 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 39' ' ' HIS . 18.3 mt -77.63 -47.66 18.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.931 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.08 -39.99 88.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 71.3 111.038 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.81 -47.67 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 55.3 110.949 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 72.1 110.867 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -63.16 -45.23 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.114 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.06 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.099 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.99 -45.68 87.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.47 -31.44 70.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.976 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.07 -45.43 90.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.915 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -80.98 -30.93 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.1 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.54 -62.21 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.85 -27.11 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 65.4 112.619 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -77.81 79.64 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 73.1 110.949 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.52 -52.25 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.817 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.28 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.76 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -71.98 -40.54 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 71.1 110.611 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -72.01 -33.99 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 51.2 110.871 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 34' ' ' LEU . 8.7 tt -59.19 -54.14 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 60.3 110.942 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.27 -44.69 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.871 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.3 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.723 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 2.5 m-85 -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.905 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -60.24 -41.78 93.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m-70 -63.15 -36.55 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -55.02 13.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.2 111.14 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.747 HG13 ' SG ' ' A' ' 65' ' ' CYS . 21.7 t -59.86 -32.98 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.051 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.11 -44.86 96.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.0 m-85 -69.66 -33.95 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.2 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.93 -53.02 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.975 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.61 -30.87 71.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -59.9 -54.9 40.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.4 m -62.21 -30.88 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.04 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -71.39 -35.91 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 70.3 111.129 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -68.72 -31.7 70.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 73.5 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -108.27 -74.58 0.65 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.895 -0.593 . . . . 65.1 110.984 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.06 82.13 4.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.779 -0.646 . . . . 61.2 111.238 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -111.38 100.79 9.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.175 -0.466 . . . . 72.3 111.376 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.4 133.65 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 73.3 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.92 126.74 0.08 OUTLIER Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.56 -0.829 . . . . 22.5 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -63.13 -31.22 72.31 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 120.916 -0.314 . . . . 63.2 110.884 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -60.53 -35.86 77.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.599 -0.273 . . . . 74.1 111.006 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.08 69.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 41.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 69.9 mttt -60.88 -35.54 76.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -68.68 -32.05 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 75.1 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -54.38 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.977 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.04 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.46 -37.88 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 65.3 111.178 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' ILE . 9.7 mtm180 -65.64 -53.18 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.75 -32.63 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -79.23 -32.5 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 55.4 110.879 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' HG13 ' A' ' 41' ' ' VAL . 32.4 m -71.92 -34.5 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.8 m -71.83 -42.93 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.85 -53.02 60.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.841 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -63.13 -40.85 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.4 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 65' ' ' CYS . 13.7 mt -60.33 -37.89 82.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.1 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -69.77 -41.07 75.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.57 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.042 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.95 -37.3 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.908 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -68.2 -48.03 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.867 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 79' ' ' LEU . 66.5 mt -62.3 -40.52 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.869 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -59.9 -36.04 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 54.4 110.667 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -32.02 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 61.2 110.616 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 75' ' ' LEU . 11.5 mt -65.66 -44.0 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.959 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -83.06 -32.24 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.1 110.872 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.899 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.43 -33.08 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 62.2 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.54 -41.25 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 64.4 110.812 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.495 ' O ' HD12 ' B' ' 123' ' ' LEU . 29.1 mt -72.81 -48.11 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.174 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.69 -41.5 90.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 72.3 110.778 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.99 -34.08 75.85 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.918 -0.583 . . . . 75.1 111.245 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.39 -45.08 92.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 54.3 110.823 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 41' ' ' VAL . 4.5 mp -60.45 -42.93 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.933 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.32 -31.64 70.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 64.3 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.39 -57.66 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 72.3 111.066 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 69' ' ' LEU . 64.3 mt -65.96 -34.82 78.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.2 110.959 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.86 29.8 9.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 61.3 112.476 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.49 130.0 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 55.3 111.159 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.256 -0.878 . . . . 75.1 110.895 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.805 0.336 . . . . 65.5 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HG ' HG11 ' A' ' 47' ' ' VAL . 9.0 mt -79.9 -41.79 25.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.288 -0.414 . . . . 72.1 110.9 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.49 -35.18 75.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 74.3 110.749 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -79.9 -34.16 39.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.101 -0.5 . . . . 61.3 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.55 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 64.3 111.072 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -72.76 -39.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 55.1 111.091 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -67.59 -50.93 55.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.3 110.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 20' ' ' LYS . 10.1 mt -61.84 -36.36 80.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 72.2 110.864 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -70.67 -40.35 73.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 24.2 111.116 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.619 ' HD2' HD22 ' A' ' 36' ' ' LEU . 18.5 ptpt -67.21 -31.4 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.4 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.806 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.37 -53.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.17 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 61.5 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -48.78 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 61.1 110.937 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -35.77 76.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.2 110.904 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.62 -48.76 80.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -81.02 -30.87 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 60.1 110.83 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.45 -62.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 52.3 111.097 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.48 -29.09 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 54.3 112.589 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -80.7 88.0 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 73.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.06 -52.25 56.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.5 110.895 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -30.91 67.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.27 -35.78 66.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 65.3 110.824 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.05 68.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.054 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.7 -54.96 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.19 -37.86 81.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD22 ' HD2' ' A' ' 20' ' ' LYS . 80.0 mt -71.93 -31.65 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 64.2 110.862 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.33 -54.72 42.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.872 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.75 -40.59 88.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -73.85 -46.48 44.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.089 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.1 t -61.52 -34.93 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.3 111.06 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.768 ' HG2' HD23 ' B' ' 123' ' ' LEU . 1.4 mt-30 -68.64 -38.92 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.51 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.768 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -62.37 -52.98 61.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 63.4 110.875 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD22 ' B' ' 123' ' ' LEU . 13.4 mt -63.32 -29.19 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.73 -55.04 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.4 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 11' ' ' LEU . 9.2 m -64.48 -35.53 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.4 111.054 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.032 HG21 HD13 ' A' ' 61' ' ' ILE . 34.8 t -65.46 -35.96 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 73.1 111.149 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -70.52 -31.02 67.94 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.866 -0.607 . . . . 74.5 110.82 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.36 30.82 7.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 74.1 110.943 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.95 83.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.159 0.504 . . . . 73.1 110.959 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.56 94.54 3.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.942 -0.572 . . . . 70.3 111.194 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -96.5 -74.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 71.1 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 177.83 40.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 73.5 112.902 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -91.01 -31.46 16.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 70.0 110.776 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.43 -42.2 95.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.997 -0.547 . . . . 65.3 110.882 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.42 81.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.344 0.592 . . . . 61.5 111.199 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -71.14 -32.05 68.48 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.706 -0.679 . . . . 75.2 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.16 -31.91 73.03 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.12 -0.491 . . . . 63.0 111.296 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.9 m -75.96 -55.02 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.978 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.032 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.08 -39.85 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' B' ' 119' ' ' ILE . 11.2 mtm180 -64.04 -52.08 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 63.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.13 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 52.1 110.998 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 85.5 mttt -80.72 -35.87 32.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 62.5 110.758 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.52 -39.84 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 44.3 110.812 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLU . 15.4 t -66.35 -44.34 83.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.884 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' THR . 16.1 tt0 -65.96 -47.77 73.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 8.9 m-85 -60.05 -35.35 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 73.3 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD21 HD12 ' B' ' 123' ' ' LEU . 18.6 mt -62.89 -41.24 99.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.859 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -60.0 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 70.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.47 -31.29 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.1 110.861 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.17 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.307 -0.406 . . . . 72.1 111.076 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HG3' HD21 ' B' ' 126' ' ' LEU . 14.7 mt-10 -73.26 -32.28 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -60.45 -48.98 79.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.09 -40.92 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -35.94 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.909 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -75.05 -55.43 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.4 110.718 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -31.94 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 53.4 110.522 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.94 -40.88 83.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -83.54 -53.98 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.3 110.866 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.815 0.34 . . . . 72.2 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.05 -47.2 83.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 70.1 110.882 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.98 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 64.3 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.668 ' O ' HD13 ' B' ' 123' ' ' LEU . 36.5 mt -72.15 -41.14 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.142 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.99 -42.06 66.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.432 -0.349 . . . . 64.2 110.889 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -36.21 73.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 63.2 110.806 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.445 ' CB ' HD13 ' A' ' 69' ' ' LEU . 12.8 mt-30 -59.93 -44.98 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.837 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 42' ' ' GLN . 8.6 mp -61.33 -47.36 86.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.1 110.812 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -64.28 -31.43 72.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.466 ' O ' HG22 ' B' ' 128' ' ' VAL . . . -71.23 -41.53 70.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 51.2 111.057 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 126' ' ' LEU . 12.4 mt -65.92 -31.11 71.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.2 110.935 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.52 -28.4 64.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 41.3 112.468 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 125' ' ' ALA . 31.2 m -98.67 -179.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 45.2 111.183 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.201 -0.904 . . . . 54.1 110.841 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' A' ' 47' ' ' VAL . 33.3 m-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 74.2 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.86 -48.52 78.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.203 -0.453 . . . . 34.2 110.957 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -49.85 65.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 75.3 110.861 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -60.45 -32.57 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.61 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 65.3 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.29 -38.19 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.5 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 39' ' ' HIS . 41.8 mt -71.58 -44.73 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.867 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.56 85.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 62.1 111.102 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -66.63 -31.65 72.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.878 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HG2' HD13 ' A' ' 36' ' ' LEU . 10.2 tttt -73.8 -36.03 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.83 -53.93 52.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 71.2 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.09 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 41.5 111.028 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -31.54 72.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 54.1 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.83 45.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 73.2 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.71 -45.97 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 71.4 110.92 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -80.93 -31.32 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -62.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.23 -27.93 0.29 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 62.5 112.601 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.6 91.03 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 65.5 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -67.13 -52.86 36.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.817 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -58.42 -31.08 67.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 65.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.89 -35.69 67.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.717 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.07 68.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.3 111.088 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -63.28 -53.42 53.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.865 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.07 -37.24 79.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 20' ' ' LYS . 52.1 mt -73.0 -32.32 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.93 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.6 m-85 -61.67 -49.6 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' HD12 ' A' ' 34' ' ' LEU . 37.6 mt-30 -63.95 -44.41 92.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' HD13 ' A' ' 17' ' ' LEU . 5.6 m170 -59.88 -36.66 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 74.1 110.867 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.03 -50.77 12.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 53.2 111.1 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.856 HG11 ' HG ' ' A' ' 69' ' ' LEU . 30.3 t -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' B' ' 123' ' ' LEU . 81.7 mt-30 -66.87 -36.6 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -72.96 -34.12 66.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.845 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.11 -53.01 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.3 110.974 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 123' ' ' LEU . 12.5 mt -69.38 -30.34 68.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.868 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.25 -49.79 76.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.528 HG13 ' HB3' ' A' ' 10' ' ' ASN . 17.3 m -66.42 -35.1 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.096 HG21 HD13 ' A' ' 61' ' ' ILE . 32.2 t -64.56 -36.0 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 62.4 110.995 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -34.6 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.933 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.76 29.86 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -179.24 90.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 73.1 110.658 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.665 ' HB1' ' HE2' ' A' ' 58' ' ' LYS . . . -120.61 125.27 47.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 34.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.91 -70.18 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.22 -115.78 1.6 Allowed Glycine 0 CA--C 1.508 -0.396 0 C-N-CA 120.346 -0.931 . . . . 54.3 112.5 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -124.12 -43.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 74.4 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -31.93 69.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.041 -0.527 . . . . 73.3 110.986 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.5 70.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.079 -0.51 . . . . 63.4 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.665 ' HE2' ' HB1' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -71.14 -31.8 68.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.998 -0.546 . . . . 73.4 111.014 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.61 -32.04 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 75.1 111.054 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 p -75.95 -55.12 5.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.096 HD13 HG21 ' A' ' 48' ' ' VAL . 2.1 pp -58.24 -38.48 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 72.1 111.185 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.33 -49.96 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.74 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.051 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -75.49 -38.96 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.739 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.658 ' CB ' HG13 ' A' ' 41' ' ' VAL . 62.8 m -68.89 -31.6 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 64.2 110.788 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.661 HG23 HG12 ' B' ' 119' ' ' ILE . 0.7 OUTLIER -70.02 -47.1 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.854 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.04 -42.25 89.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 63.1 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 16.9 m-85 -69.46 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.895 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.856 ' HG ' HG11 ' A' ' 41' ' ' VAL . 13.5 mt -67.06 -41.92 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.848 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 70.4 110.832 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -60.42 -38.56 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 52.2 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' O ' HD21 ' A' ' 34' ' ' LEU . . . -62.06 -42.84 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.2 111.114 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.29 -35.42 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -67.3 -41.7 84.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 45.3 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' A' ' 34' ' ' LEU . 20.3 mt -73.96 -36.41 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 40.3 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -34.65 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.839 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.05 -56.43 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.717 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -30.89 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 53.0 110.542 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.88 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.974 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -54.04 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.947 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 52.3 110.921 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.607 0.241 . . . . 73.3 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -73.34 -31.23 63.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 53.5 111.115 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -51.03 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.989 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.661 HG12 HG23 ' A' ' 66' ' ' THR . 37.0 mt -60.44 -38.57 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.906 0.384 . . . . 70.3 111.106 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.16 -31.27 68.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -73.92 -37.74 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 62.4 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.811 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.2 mt-30 -59.99 -53.95 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.893 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.772 HD21 HD12 ' A' ' 45' ' ' LEU . 3.1 pp -66.76 -31.67 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.918 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -72.29 -31.57 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.97 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.07 -43.42 43.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 72.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.03 -43.35 87.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.94 130.36 5.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 52.4 112.504 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -170.19 135.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 74.3 111.06 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.25 -0.881 . . . . 71.3 110.917 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 121.173 0.511 . . . . 74.1 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.971 -0.559 . . . . 61.3 110.864 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.99 -40.73 97.02 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.97 -0.559 . . . . 73.2 111.223 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -31.53 64.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.062 -0.517 . . . . 72.2 110.808 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.7 94.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 73.0 111.026 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -74.95 -47.06 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 42.4 111.113 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.61 -45.87 92.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.854 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.4 -50.0 75.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -61.08 -33.35 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.3 111.123 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -74.32 -40.37 62.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.1 110.883 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -71.35 -36.65 71.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.5 110.887 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.09 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.5 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.06 71.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 111.094 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -31.87 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -33.42 55.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.5 t70 -59.46 -47.04 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.836 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -81.1 -31.01 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.814 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.8 -62.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.5 111.132 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.85 -28.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 63.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.16 90.03 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 54.5 110.861 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -67.38 -53.16 31.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 53.3 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -31.96 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 70.3 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -71.72 -38.74 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 74.2 110.792 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.27 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 60.4 111.054 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -55.0 39.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 72.5 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.37 -42.73 96.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 70.3 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.848 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.1 m-85 -60.01 -54.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.896 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.16 -36.0 76.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -66.78 -34.77 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.3 110.907 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.05 -34.88 37.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.1 111.073 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 37' ' ' TYR . 24.2 t -72.92 -38.19 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.108 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.754 ' HB3' HD11 ' B' ' 123' ' ' LEU . 4.9 pt20 -67.88 -44.89 75.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.76 -36.45 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 60.2 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -59.53 -53.07 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 53.3 110.925 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.0 -29.57 70.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.2 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.29 -51.0 71.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 73.2 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 44' ' ' PHE . 19.6 m -67.65 -30.88 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 HD13 ' A' ' 61' ' ' ILE . 33.7 t -67.96 -37.95 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 52.4 110.893 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.45 -39.31 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 71.2 110.888 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -97.31 -74.97 0.55 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.307 -0.406 . . . . 73.4 110.939 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.29 85.91 6.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.286 -0.415 . . . . 72.1 111.082 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -107.87 127.1 53.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.78 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -92.02 -66.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.435 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.74 -170.58 34.37 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.577 -0.82 . . . . 63.4 112.584 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.912 0.386 . . . . 72.4 110.679 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -60.18 -62.19 2.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.153 -0.476 . . . . 51.1 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.09 83.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.007 0.432 . . . . 53.2 111.502 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG2' HG13 ' A' ' 48' ' ' VAL . 33.2 mtpt -60.25 -31.76 70.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.91 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.04 -32.39 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 74.3 110.713 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -75.01 -55.06 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 54.2 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.05 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.01 -38.58 74.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.5 111.156 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.1 mtm180 -62.38 -54.03 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.863 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 53.4 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -79.25 -32.22 43.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.4 m -71.73 -33.65 68.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.962 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 79.0 m -75.78 -41.37 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.1 110.827 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.35 -48.35 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 62.4 110.894 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.4 -34.63 70.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.719 ' HG ' HG11 ' A' ' 41' ' ' VAL . 20.3 mt -69.85 -46.49 65.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.902 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -39.2 86.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.917 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -65.91 -37.68 86.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.945 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -48.09 83.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 64.3 111.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.25 -35.71 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -41.54 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 74.1 110.899 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD11 ' OD2' ' A' ' 25' ' ' ASP . 84.9 mt -68.3 -43.49 77.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -36.77 78.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.891 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.08 -54.58 6.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.673 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -32.05 70.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 73.1 110.625 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.66 -45.04 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.3 110.93 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -80.06 -48.75 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 70.4 110.96 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 C--O 1.228 -0.068 0 CA-C-O 120.888 0.375 . . . . 73.2 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -36.34 76.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.835 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -48.51 81.45 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.325 -0.398 . . . . 71.1 110.805 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.445 HD12 ' CD ' ' A' ' 62' ' ' ARG . 33.5 mt -68.11 -44.75 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 75.2 111.061 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.281 -0.418 . . . . 53.3 110.885 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -61.94 -39.55 92.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.369 -0.378 . . . . 73.3 110.794 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.16 -38.52 83.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 54.3 110.815 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -60.23 -52.95 63.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.89 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.455 ' O ' HG13 ' B' ' 128' ' ' VAL . 0.9 OUTLIER -62.58 -31.35 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.906 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 128' ' ' VAL . . . -62.97 -55.42 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 75.3 111.083 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.03 -32.08 73.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.48 62.59 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 63.4 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.455 HG13 ' O ' ' B' ' 124' ' ' LYS . 31.4 m -132.09 -179.78 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 63.3 111.1 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.295 -0.86 . . . . 75.3 110.893 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.424 ' ND2' ' CG ' ' A' ' 46' ' ' HIS . 4.2 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.75 0.309 . . . . 74.1 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.66 -44.9 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 75.4 111.181 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -67.24 -35.16 78.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 65.5 110.886 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.91 -50.59 73.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 54.4 111.133 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 -33.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 65.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.87 -37.45 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 62.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' A' ' 43' ' ' TYR . 5.8 mt -79.5 -45.64 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.5 110.886 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.74 -47.16 86.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 t -68.08 -39.5 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.809 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -68.78 -35.44 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.1 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.54 -49.89 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.093 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 75.0 111.158 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -40.78 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.99 -31.04 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 71.5 110.925 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -58.62 -47.46 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 61.3 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -80.98 -30.53 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.3 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.41 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.45 -29.38 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 43.4 112.505 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -79.59 84.95 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 73.2 110.927 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.64 -52.46 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.3 110.823 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -72.82 -40.72 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.774 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.05 68.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.086 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.54 -53.15 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.4 110.889 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.62 -39.37 87.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 54.2 110.887 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.0 -31.5 70.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.83 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.21 -49.85 75.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 62.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -59.82 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.19 -33.05 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 60.4 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -69.43 -55.72 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 111.111 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.654 ' CG1' HD11 ' B' ' 123' ' ' LEU . 21.5 t -58.84 -32.95 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 65.3 111.067 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.65 -48.87 79.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.642 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.2 m-85 -59.66 -34.49 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 72.3 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-85 -59.75 -52.93 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.841 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD12 HD22 ' B' ' 123' ' ' LEU . 15.6 mt -57.77 -29.97 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.993 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.424 ' CG ' ' ND2' ' A' ' 10' ' ' ASN . 1.4 t60 -59.89 -55.02 39.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 63.4 111.003 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' PHE . 17.3 m -63.3 -32.64 57.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.198 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.936 HG22 HD12 ' A' ' 61' ' ' ILE . 27.7 t -63.06 -36.02 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 54.4 111.122 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -68.11 -45.94 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 72.4 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -105.49 28.69 7.17 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.182 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.62 102.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 73.3 111.207 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB1' ' HE3' ' A' ' 58' ' ' LYS . . . -162.76 81.9 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.25 -0.432 . . . . 75.4 111.197 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -130.02 80.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.73 0.3 . . . . 62.3 111.275 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.39 149.26 5.31 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.964 -0.636 . . . . 65.1 112.425 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -85.05 -33.25 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 71.4 110.823 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -54.28 14.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.836 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.8 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 73.3 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.627 ' HE3' ' HB1' ' A' ' 52' ' ' ALA . 15.1 mttt -60.21 -31.77 70.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 74.2 111.109 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -73.03 -42.66 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.95 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.9 p -60.18 -54.94 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD12 HG22 ' A' ' 48' ' ' VAL . 16.9 pt -58.99 -41.88 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.14 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' B' ' 119' ' ' ILE . 4.0 mtm180 -66.49 -54.1 27.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.854 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.89 -30.27 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.5 111.108 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -75.69 -40.57 55.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 53.1 110.995 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.475 ' HA ' HG13 ' A' ' 41' ' ' VAL . 64.9 m -62.42 -39.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.901 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -75.95 -33.89 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -60.31 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.887 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -67.52 -31.68 71.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' B' ' 122' ' ' GLN . 23.1 mt -66.4 -45.37 80.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.3 110.962 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.4 ttt85 -69.64 -44.98 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.918 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.27 82.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 70.1 111.116 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.18 -33.07 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.51 68.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 73.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 34' ' ' LEU . 8.6 mp -71.51 -44.6 64.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 71.2 110.882 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.99 -37.23 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 63.5 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.15 -54.22 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 60.4 110.688 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -32.02 71.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 63.3 110.571 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.63 -51.32 65.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 73.1 110.888 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -70.7 -31.79 68.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 53.1 110.901 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.694 0.283 . . . . 50.4 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.93 -35.79 77.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 74.1 110.7 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -51.05 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.902 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' A' ' 62' ' ' ARG . 31.1 mt -71.14 -41.52 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 52.3 111.106 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.29 -46.39 87.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.2 110.958 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -65.45 -30.57 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.808 ' HB3' HD13 ' A' ' 69' ' ' LEU . 9.0 mm100 -59.4 -52.64 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.908 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.8 HD12 HD11 ' A' ' 69' ' ' LEU . 4.1 mp -60.37 -38.25 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -63.36 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.52 -40.54 76.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 47.2 mt -78.75 -31.13 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.935 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . 0.539 ' O ' HG13 ' B' ' 128' ' ' VAL . . . -89.77 50.78 3.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 75.1 112.498 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.539 HG13 ' O ' ' B' ' 127' ' ' GLY . 6.0 m -158.94 30.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 61.2 111.118 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.253 -0.879 . . . . 63.4 110.898 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.734 0.302 . . . . 71.3 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.7 pp -61.17 -33.37 73.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.906 0.384 . . . . 72.5 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.5 tt0 -66.57 -40.79 89.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.708 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.3 -41.14 92.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.16 -49.83 76.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 73.1 111.147 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.29 -34.18 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.3 111.118 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.92 -33.92 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.929 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 13' ' ' LYS . 4.0 mm? -80.17 -38.58 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.1 110.918 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.51 -46.08 56.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.5 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -65.11 -41.33 95.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 50.4 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -70.55 -32.45 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.1 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.8 -53.99 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.075 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.4 111.097 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.985 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.6 mm-40 -76.6 -37.96 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.5 -43.13 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 74.1 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -80.96 -31.2 34.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.902 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -62.28 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 53.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.56 -27.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 55.5 112.605 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -77.86 87.93 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 54.3 110.91 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -64.65 -50.06 68.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.702 ' OE2' HD22 ' A' ' 79' ' ' LEU . 2.4 tp10 -59.36 -31.59 69.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.827 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.0 -33.9 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.865 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -72.04 -38.36 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.121 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -62.17 -48.96 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.894 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.23 -38.93 84.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.829 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.57 -35.4 67.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 70.4 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.6 m-85 -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.1 110.906 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.39 -50.94 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -59.47 -43.43 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 74.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -59.57 -50.1 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 75.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.1 t -62.09 -33.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 63.4 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.592 ' HG2' HD23 ' B' ' 123' ' ' LEU . 38.4 mt-30 -68.89 -47.04 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 13' ' ' LYS . 7.7 m-85 -64.22 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 74.4 110.944 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.862 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -61.94 -53.02 61.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.89 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 45' ' ' LEU . 12.4 mt -71.05 -29.94 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.88 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.78 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.847 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 m -65.9 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 HD13 ' A' ' 61' ' ' ILE . 36.4 t -64.28 -36.02 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.949 0.404 . . . . 71.3 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -70.86 -31.3 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 71.1 110.975 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.34 30.82 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.942 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.72 83.33 0.02 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.213 -0.449 . . . . 74.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 64.3 111.155 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -87.26 -54.4 4.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.932 -0.576 . . . . 72.2 110.828 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.43 176.76 19.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.036 -0.602 . . . . 65.3 112.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.73 -31.12 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 75.1 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -60.41 -45.65 92.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.386 -0.37 . . . . 61.2 110.955 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.338 0.589 . . . . 63.4 111.658 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG13 ' A' ' 48' ' ' VAL . 3.8 mtpm? -64.12 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 55.3 110.976 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -68.53 -31.94 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 73.1 110.945 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -74.26 -55.04 6.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.442 -0.345 . . . . 63.2 110.842 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.018 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.48 -39.27 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.181 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.2 mtm180 -60.79 -52.54 64.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 50.4 110.919 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.55 -30.19 68.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.073 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -80.91 -32.29 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.971 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' HD12 ' A' ' 69' ' ' LEU . 67.9 m -67.18 -35.21 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.452 . . . . 71.1 110.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -43.03 47.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.913 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -61.53 -51.03 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.5 110.99 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.8 -36.59 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 72.4 110.897 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 122' ' ' GLN . 27.4 mt -66.79 -39.11 87.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.938 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -47.13 79.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 51.4 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.1 ttp180 -60.43 -48.69 80.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.901 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -59.57 -38.93 82.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.5 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.39 -38.21 88.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.89 -31.71 72.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.2 mp -74.4 -42.37 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 71.2 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -34.43 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.872 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -75.13 -56.64 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.606 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.4 110.658 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.702 HD22 ' OE2' ' A' ' 31' ' ' GLU . 14.7 mt -63.59 -60.27 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.184 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -42.3 42.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.242 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 74.0 111.012 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.986 0.422 . . . . 72.1 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.55 -31.75 69.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.506 . . . . 74.3 110.86 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.27 -38.55 81.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 54.1 110.869 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.586 ' O ' HD12 ' B' ' 123' ' ' LEU . 30.9 mt -69.38 -50.04 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.4 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.83 -43.32 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.309 -0.405 . . . . 54.2 110.895 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -62.55 -34.93 77.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.837 0.351 . . . . 73.3 110.774 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.533 ' HB3' HD13 ' A' ' 69' ' ' LEU . 3.6 mt-30 -60.49 -43.72 96.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.592 HD23 ' HG2' ' A' ' 42' ' ' GLN . 5.2 mp -60.23 -45.88 91.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -60.14 -31.35 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.908 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.22 -53.92 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 24.5 111.072 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.08 -35.5 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 51.3 110.907 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.8 87.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 73.3 112.525 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.5 129.61 58.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 74.1 111.096 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.226 -0.892 . . . . 62.4 110.889 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.83 0.348 . . . . 72.2 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.0 tt -62.11 -34.67 76.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.331 -0.395 . . . . 73.0 110.93 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -61.16 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.004 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -65.11 -37.25 86.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.102 -0.499 . . . . 72.2 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -60.05 -46.2 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.5 111.051 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.4 -46.5 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.2 111.121 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.4 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.34 -42.55 59.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.897 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.65 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.097 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -68.2 -33.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -75.92 -33.23 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.3 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.575 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.0 -54.02 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 70.4 111.074 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -31.25 71.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.091 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -31.76 73.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.841 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.94 -32.74 45.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 64.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -80.95 -30.72 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 45.3 111.044 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.11 -28.82 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 75.1 112.578 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -80.88 81.49 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 64.3 110.879 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.69 -50.96 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.56 -31.01 67.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -73.45 -34.78 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.77 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.17 69.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.4 111.084 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.0 tt -63.65 -51.78 63.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -60.03 -42.56 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 71.5 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.41 -31.27 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.2 m-85 -60.1 -52.93 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.887 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -59.97 -40.56 89.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -64.73 -45.76 85.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.2 110.841 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.72 69.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.4 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.2 t -61.78 -37.17 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.2 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.601 ' HG2' HD23 ' B' ' 123' ' ' LEU . 4.5 mm-40 -62.12 -36.23 81.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.2 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.673 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 14.9 m-85 -70.86 -33.89 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.954 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.6 m-85 -58.56 -52.97 63.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.33 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.953 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -58.65 -52.56 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 60.4 111.022 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.16 -34.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 64.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG21 HD13 ' A' ' 61' ' ' ILE . 39.0 t -68.12 -36.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.959 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -30.88 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.891 0.377 . . . . 72.2 111.003 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.57 -74.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -62.82 -70.76 0.19 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.289 -0.414 . . . . 72.1 111.068 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . 59.6 95.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.369 -0.378 . . . . 74.5 111.471 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.28 -66.04 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.835 -0.62 . . . . 70.2 111.03 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.11 -128.95 1.12 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.093 -0.575 . . . . 62.3 112.771 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.86 -31.33 14.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.933 0.397 . . . . 73.4 110.81 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -72.24 -49.01 38.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.927 0.394 . . . . 74.1 111.018 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.61 -49.31 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 41.1 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.83 -42.6 93.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 74.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -67.37 -32.86 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.4 111.148 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -76.01 -54.22 7.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 72.3 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.093 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -58.94 -38.6 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.1 111.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' CD ' HD12 ' B' ' 119' ' ' ILE . 6.3 mtm180 -61.36 -53.94 50.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 70.1 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.46 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 61.3 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -78.27 -32.27 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.902 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -68.78 -34.19 75.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 54.3 110.791 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 m -73.51 -42.95 61.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 61.2 110.963 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.29 -40.06 89.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 70.2 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -72.4 -41.07 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 71.4 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.781 HD13 ' CB ' ' B' ' 122' ' ' GLN . 30.6 mt -60.32 -47.47 85.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.929 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.16 -39.17 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.01 -51.91 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 34' ' ' LEU . . . -62.81 -32.8 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.4 111.108 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.45 -38.7 85.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.5 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -72.08 -38.89 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.6 -42.93 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' HD3' HD23 ' B' ' 126' ' ' LEU . 7.4 ttpp -60.05 -36.88 78.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.1 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -75.15 -54.86 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 63.0 110.727 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -31.8 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 71.4 110.655 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.65 -41.65 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 52.4 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -71.48 -46.14 60.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 63.3 110.859 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.791 0.329 . . . . 64.3 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.25 -32.43 73.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.105 -0.498 . . . . 71.5 110.962 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -38.57 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 70.3 110.779 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.441 HD12 ' CD ' ' A' ' 62' ' ' ARG . 29.4 mt -72.49 -46.17 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 75.1 111.105 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -48.67 79.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 73.4 110.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -64.89 -31.51 72.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 64.0 110.858 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.781 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.1 -41.04 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 52.3 110.931 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 41' ' ' VAL . 8.4 mp -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.542 ' O ' HG22 ' B' ' 128' ' ' VAL . 0.1 OUTLIER -60.48 -41.81 94.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 62.5 110.821 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.09 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.489 HD23 ' HD3' ' A' ' 76' ' ' LYS . 3.2 mt -65.95 -31.24 72.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 65.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.92 25.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 74.1 112.493 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 124' ' ' LYS . 31.2 m -76.82 148.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 70.4 111.171 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.269 -0.872 . . . . 74.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.809 0.338 . . . . 74.3 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 12.8 mt -65.62 -47.83 74.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.896 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -30.58 62.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.401 . . . . 75.1 110.996 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -75.89 -31.36 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.822 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.0 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.099 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -73.28 -45.66 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.985 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.96 -39.35 85.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.56 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 21.0 mt -80.98 -31.58 34.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 74.2 110.818 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -72.91 -47.98 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.4 111.099 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t -64.08 -45.71 87.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.849 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.044 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 60.3 111.025 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -65.44 -31.58 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.946 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -36.97 56.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 61.2 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.93 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.918 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.41 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.861 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' GLN . . . -61.63 -63.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 70.1 111.074 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.58 -29.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 53.3 112.546 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -77.96 89.46 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 72.4 110.889 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.59 -53.58 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.935 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -30.86 66.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -72.44 -36.39 68.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 75.3 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.0 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 24.1 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.68 -48.2 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 74.5 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.92 -48.12 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.89 -30.62 70.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.3 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.641 ' O ' HG12 ' A' ' 41' ' ' VAL . 1.4 m-85 -59.26 -44.7 92.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.5 110.919 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 41' ' ' VAL . 37.6 mt-30 -71.01 -42.55 69.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.898 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -61.82 -38.87 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.965 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB2' ' C ' ' A' ' 17' ' ' LEU . . . -72.75 -55.3 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 75.3 111.169 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.833 HG22 HD11 ' B' ' 123' ' ' LEU . 12.3 p -59.55 -33.04 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.1 111.107 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -39.2 87.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 41.5 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.47 -34.07 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.91 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -59.64 -53.15 61.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.91 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.4 tp -66.13 -30.97 71.56 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.63 -54.99 40.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.1 110.914 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 44' ' ' PHE . 15.1 m -60.09 -36.44 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 71.1 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.086 HG21 HD13 ' A' ' 61' ' ' ILE . 32.0 t -62.14 -35.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 75.3 111.138 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -66.13 -43.66 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 61.1 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -108.21 30.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.963 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -177.17 95.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 58' ' ' LYS . . . -129.15 77.92 1.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.825 0.345 . . . . 71.5 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -107.29 93.84 4.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.065 -0.516 . . . . 72.3 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.91 156.62 23.08 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.223 -0.989 . . . . 73.1 112.568 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.61 -31.69 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 73.2 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.45 -44.32 95.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.423 -0.353 . . . . 54.3 110.841 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.85 80.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.011 0.434 . . . . 74.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HD2' ' HB1' ' A' ' 52' ' ' ALA . 8.6 mtpm? -66.53 -33.13 74.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 72.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -31.98 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.42 8.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.895 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.086 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.68 -37.7 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.5 111.189 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.6 mtm180 -68.15 -54.0 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.29 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.2 111.021 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 mttp -77.18 -32.48 56.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.5 110.917 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 41' ' ' VAL . 5.7 m -67.95 -36.9 80.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 61.3 110.81 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.4 m -70.55 -42.99 70.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.799 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.81 -40.73 93.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 24.1 m-85 -75.5 -39.38 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.863 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' B' ' 122' ' ' GLN . 11.6 mt -60.27 -48.95 79.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.933 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -60.32 -43.98 95.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.88 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -60.23 -31.6 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.71 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 51.5 111.033 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -61.5 -32.0 72.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -67.09 -40.62 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.91 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 79' ' ' LEU . 69.9 mt -73.77 -43.22 59.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 62.2 110.942 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -37.11 78.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.17 -54.88 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.727 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -31.81 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.563 . . . . 72.4 110.592 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 75' ' ' LEU . 8.9 mt -62.01 -57.53 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.941 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -76.68 -51.55 11.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 73.3 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.975 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.227 -0.128 0 CA-C-O 121.033 0.444 . . . . 73.4 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.27 -37.56 77.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.555 . . . . 72.4 110.823 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -71.81 -43.79 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 73.2 110.818 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 mt -70.51 -35.39 61.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 60.3 111.023 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -49.0 69.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -31.71 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.881 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.825 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.8 mm100 -60.99 -46.65 89.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 65.2 110.885 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.833 HD11 HG22 ' A' ' 41' ' ' VAL . 8.5 mp -60.04 -46.26 90.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 72.2 110.851 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -65.99 -31.26 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.924 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 128' ' ' VAL . . . -59.51 -51.25 70.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 41.4 111.109 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 38' ' ' GLN . 7.9 mt -67.41 -31.39 71.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.16 74.86 2.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.681 -0.771 . . . . 71.5 112.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 125' ' ' ALA . 21.5 t -141.0 110.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 73.3 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.197 -0.906 . . . . 75.3 110.887 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 46' ' ' HIS . 3.0 m120 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.766 0.317 . . . . 72.2 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' HG ' HG11 ' A' ' 47' ' ' VAL . 5.4 mp -68.14 -42.58 79.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.94 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -47.3 84.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 52.1 111.274 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -66.73 -34.71 78.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 74.4 110.913 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.92 -51.96 67.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.068 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.68 -34.12 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.4 111.125 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -69.69 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD23 HD23 ' A' ' 36' ' ' LEU . 6.3 mt -68.67 -50.0 54.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.26 -31.72 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.2 111.08 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.44 -37.27 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.1 110.846 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -71.78 -38.74 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 61.3 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.81 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.127 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.3 -37.09 79.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.894 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -31.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.961 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.34 -42.1 94.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.3 110.911 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -37.14 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 43.4 110.92 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.32 86.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 51.0 111.077 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.42 -27.95 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 73.1 112.511 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -59.9 157.76 11.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 61.3 110.933 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -144.13 -47.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.879 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -52.04 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.35 -32.65 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.2 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.5 -34.23 72.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 50.4 111.084 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.91 -56.35 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.2 110.899 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -61.15 -33.09 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.942 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 32' ' ' GLU . 7.1 mt -72.52 -35.08 68.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.882 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.741 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.6 m-85 -60.35 -43.07 96.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -66.5 -48.19 70.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -60.11 -41.92 93.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -61.88 -52.31 64.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 70.4 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 37' ' ' TYR . 25.4 t -62.47 -32.99 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.09 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -59.99 -50.05 75.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 54.5 110.974 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 19.7 m-85 -60.25 -35.12 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 71.2 110.859 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m-85 -59.88 -53.03 62.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.5 110.825 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.4 tp -57.52 -29.85 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 63.4 110.976 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' ND2' ' A' ' 10' ' ' ASN . 2.0 t60 -63.02 -44.55 95.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' PHE . 30.5 m -78.22 -30.38 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.4 111.164 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.138 HG22 HD12 ' A' ' 61' ' ' ILE . 37.9 t -62.92 -36.05 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 61.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -83.45 -31.15 26.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.847 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -95.56 -75.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 74.4 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -91.11 84.3 5.69 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 70.1 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -129.48 102.01 6.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.082 0.467 . . . . 75.2 111.14 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -131.38 132.88 44.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 53.3 110.6 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.1 140.91 11.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.525 -0.845 . . . . 70.1 112.671 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.23 -34.77 49.04 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.625 0.25 . . . . 64.3 111.018 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -66.45 -48.35 70.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.028 -0.533 . . . . 61.3 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.03 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 54.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' ILE . 84.5 mttt -60.39 -32.49 71.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.831 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -70.31 -35.71 73.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 74.4 110.879 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 m -68.48 -54.93 13.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.885 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.138 HD12 HG22 ' A' ' 48' ' ' VAL . 16.8 pt -57.68 -42.36 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.2 111.178 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -49.66 41.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.855 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.83 -31.94 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 43.2 111.001 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -77.46 -41.4 39.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.649 ' SG ' HG13 ' A' ' 41' ' ' VAL . 1.5 m -59.53 -38.98 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.44 -45.89 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.947 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -60.67 -52.68 64.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.898 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.22 -31.6 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.914 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' B' ' 122' ' ' GLN . 11.8 mt -62.36 -49.03 77.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -61.55 -41.91 98.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 74.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.48 -34.23 73.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.896 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . . . -72.9 -42.57 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.4 111.087 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.6 -32.2 69.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.919 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -63.45 -47.44 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 79' ' ' LEU . 95.6 mt -62.86 -38.34 90.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -59.97 -34.53 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.913 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -75.1 -55.6 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.698 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -32.07 70.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.983 -0.553 . . . . 71.3 110.599 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 34' ' ' LEU . 7.1 mt -65.01 -46.01 83.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.879 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -81.93 -31.54 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.1 110.881 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.604 0.24 . . . . 75.1 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.42 -34.6 74.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 73.1 110.811 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.81 -45.5 94.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.37 -0.377 . . . . 75.4 110.738 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.09 -34.13 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.54 -49.15 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 70.2 110.836 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -31.55 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.781 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.708 ' HB3' HD13 ' A' ' 69' ' ' LEU . 5.5 mm100 -60.09 -50.77 72.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.3 110.977 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 45' ' ' LEU . 3.3 mp -60.32 -45.24 94.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 63.1 110.91 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -31.46 72.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 74.5 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.65 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.058 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mt -65.97 -33.74 76.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 73.3 110.987 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.26 78.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 55.4 112.562 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.72 179.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 63.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.275 -0.869 . . . . 61.0 110.884 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.793 0.33 . . . . 52.5 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 47' ' ' VAL . 4.4 mm? -73.29 -33.91 65.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.222 -0.445 . . . . 75.5 110.884 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -71.79 -47.61 52.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.266 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -60.96 -37.4 82.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.944 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.98 67.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 65.1 111.157 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.98 -42.85 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.4 111.142 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.19 -44.2 95.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 55.2 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 39' ' ' HIS . 57.4 mt -63.31 -40.86 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 63.1 110.889 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -66.34 -47.83 72.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.119 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.62 99.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -67.15 -31.61 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.2 110.833 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.74 -53.98 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.061 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.1 111.104 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -61.03 -44.73 96.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -65.66 -36.51 83.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -59.56 -46.8 87.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 73.2 110.876 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -80.98 -31.18 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.2 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 70.3 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.74 -27.68 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 71.1 112.555 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -79.63 92.47 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 74.1 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.58 -52.55 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 41.2 110.831 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -31.3 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 64.4 110.858 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -73.23 -37.25 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 65.5 110.807 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.99 -34.15 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.5 111.08 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 75' ' ' LEU . 1.1 tt -62.59 -53.78 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.923 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.5 -45.44 93.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 52.3 110.855 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.87 -32.18 73.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.718 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 1.4 m-85 -59.92 -50.65 72.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.907 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -60.72 -36.39 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 50.2 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.765 ' HB3' HD13 ' A' ' 17' ' ' LEU . 9.2 m170 -62.21 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 65.3 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -75.48 -42.19 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 60.2 111.121 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.689 HG13 ' HB3' ' A' ' 65' ' ' CYS . 21.8 t -64.09 -47.18 91.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 63.5 111.148 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.61 -44.77 95.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.931 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.08 -34.02 72.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.825 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.866 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.49 -53.09 62.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.476 . . . . 64.4 110.897 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.57 -30.59 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.2 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.34 -55.04 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 11' ' ' LEU . 21.1 m -64.35 -29.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 63.3 111.186 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.067 HG21 HD13 ' A' ' 61' ' ' ILE . 36.2 t -74.06 -45.45 48.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.224 -0.444 . . . . 75.1 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -72.99 -40.02 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 72.5 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -83.09 -30.48 27.93 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.286 -0.416 . . . . 73.4 110.963 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -139.38 79.81 1.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 43.4 110.95 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -90.79 123.01 34.02 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.194 -0.457 . . . . 61.4 111.133 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -123.88 114.83 20.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.418 . . . . 74.2 110.74 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.65 -169.49 6.84 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.494 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.8 -31.41 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 72.5 111.093 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.303 -0.408 . . . . 71.5 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.21 70.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 73.0 111.367 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 39.7 mttt -63.96 -31.88 73.22 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.915 -0.584 . . . . 71.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -67.03 -32.13 73.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 73.4 110.975 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -55.06 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 64.5 110.938 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.067 HD13 HG21 ' A' ' 48' ' ' VAL . 1.8 pp -59.06 -37.77 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 53.5 111.109 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.9 -48.51 73.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 75.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.4 111.01 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.8 OUTLIER -77.63 -40.2 42.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.2 110.763 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' HG13 ' A' ' 41' ' ' VAL . 77.6 m -67.39 -43.64 80.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 63.2 110.887 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -62.52 -40.87 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.92 -52.3 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 62.4 111.0 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 19.7 m-85 -60.73 -32.02 71.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.865 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' B' ' 122' ' ' GLN . 15.1 mt -66.11 -41.19 90.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 62.5 110.884 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -43.71 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 51.4 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -66.43 -33.83 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.094 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.28 -31.9 55.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.906 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.98 74.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.4 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD12 ' A' ' 34' ' ' LEU . 41.2 mt -66.11 -37.35 85.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.71 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 44.1 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.11 -56.22 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.666 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.88 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 74.1 110.566 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.5 mt -74.82 -41.38 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.3 110.953 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -67.21 -53.97 25.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 64.5 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 64.4 110.985 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.584 0.23 . . . . 61.3 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.46 -35.65 70.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.529 -0.305 . . . . 70.2 110.47 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.37 -43.63 73.2 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.379 -0.373 . . . . 62.4 110.872 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 34.1 mt -66.19 -47.38 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 72.5 111.171 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.36 -35.6 79.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.349 -0.387 . . . . 71.0 110.958 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -72.06 -33.91 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.354 . . . . 71.2 110.659 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.569 ' CB ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -60.09 -54.02 50.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 62.4 110.959 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -63.21 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 64.3 110.876 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -66.56 -34.19 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.98 -39.88 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 64.3 111.107 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.545 HD11 HE22 ' B' ' 122' ' ' GLN . 11.5 mt -66.1 -41.71 90.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 60.3 110.925 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.8 122.01 2.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 62.3 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 128' ' ' VAL . 11.0 p -137.34 115.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 72.2 111.049 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.167 -0.92 . . . . 53.4 110.952 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.842 0.353 . . . . 72.2 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.7 tt -63.37 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.1 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -48.36 82.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.858 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.87 -32.23 73.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.3 111.116 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.495 HD13 ' CZ ' ' A' ' 44' ' ' PHE . 26.6 mm -75.07 -47.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 74.4 111.153 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -36.6 78.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 62.4 110.896 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 36' ' ' LEU . 18.7 mt -75.11 -45.16 42.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.2 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -67.54 -35.66 79.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.067 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 t -70.84 -31.48 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 60.3 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -76.48 -32.6 58.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.1 110.835 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 37' ' ' TYR . . . -73.06 -34.11 66.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.069 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.81 -49.65 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 63.2 111.113 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -38.31 80.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -66.66 -38.02 85.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 53.3 110.867 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.79 -42.74 94.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 52.5 110.922 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -35.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.45 88.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.13 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.92 -28.13 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 65.1 112.506 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 87.0 m-20 -64.2 158.69 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 72.4 110.865 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 29' ' ' ASN . 34.3 m-85 -143.82 -47.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 60.5 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.98 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.954 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -68.88 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.865 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.98 -37.69 69.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.035 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -53.95 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 70.1 110.851 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.75 -32.89 74.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LYS . 14.4 mt -72.94 -31.63 64.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.885 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.826 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.5 m-85 -63.38 -55.33 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -61.39 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.98 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 75.4 110.94 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -71.66 -46.04 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 53.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG11 HD11 ' A' ' 69' ' ' LEU . 28.8 t -63.27 -33.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.028 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -45.43 73.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.1 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.97 -34.02 75.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.868 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -57.95 -52.98 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 62.4 110.942 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD22 HD21 ' B' ' 123' ' ' LEU . 7.4 tp -69.28 -30.14 68.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -58.82 -51.78 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.15 -35.77 76.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.151 -0.477 . . . . 62.4 111.124 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.098 HG21 HD13 ' A' ' 61' ' ' ILE . 32.1 t -65.28 -35.82 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 74.2 111.252 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -70.56 -31.19 68.12 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.997 -0.547 . . . . 72.1 110.967 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -118.23 30.34 7.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.96 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.98 85.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 75.2 110.924 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.96 78.51 1.34 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 121.331 0.586 . . . . 63.4 111.164 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.33 -74.52 0.12 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.944 -0.571 . . . . 75.1 111.079 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -106.06 -170.02 23.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 120.397 -0.906 . . . . 74.4 112.677 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.55 -32.08 11.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.517 -0.402 . . . . 71.1 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.05 -43.36 95.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.144 0.497 . . . . 73.2 110.948 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.66 94.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.532 -0.758 . . . . 73.3 111.192 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -65.01 -32.49 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.2 110.682 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -71.47 -41.25 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.955 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -64.68 -54.26 34.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.854 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.098 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.41 -38.12 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 72.3 111.178 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.3 mtm180 -68.31 -54.0 20.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.859 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.0 69.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 53.2 111.005 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 23.0 mttt -77.91 -38.02 46.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.791 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.75 ' SG ' HG13 ' A' ' 41' ' ' VAL . 7.6 m -69.17 -45.47 69.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.774 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -60.24 -43.29 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 62.2 110.912 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -67.41 -43.22 81.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 73.3 110.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 12.4 m-85 -69.51 -41.84 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.882 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG11 ' A' ' 41' ' ' VAL . 6.1 mt -61.38 -31.49 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 53.2 110.913 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.1 -48.72 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 73.2 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 75' ' ' LEU . 10.8 ttt85 -61.13 -41.09 96.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.1 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.96 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.071 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.98 -36.9 85.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.876 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -67.82 -33.48 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.5 110.896 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 71' ' ' ARG . 9.0 mp -71.13 -42.47 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 53.1 110.893 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -36.21 76.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.895 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -75.17 -54.8 6.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.672 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.04 70.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.946 -0.57 . . . . 64.1 110.634 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.25 -31.81 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.926 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.8 -44.92 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.1 110.902 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.782 0.325 . . . . 53.5 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.86 -31.01 62.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 75.0 111.043 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -50.85 45.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.523 . . . . 73.4 110.963 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' A' ' 62' ' ' ARG . 46.6 mt -61.12 -37.99 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 74.5 111.03 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.576 ' HA ' HD21 ' B' ' 123' ' ' LEU . 0.0 OUTLIER -66.54 -29.5 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 65.4 110.874 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -71.73 -33.69 68.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 52.1 110.979 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.703 ' CB ' HD22 ' A' ' 69' ' ' LEU . 17.5 mm-40 -65.52 -54.11 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 73.1 110.86 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.761 HD21 HD22 ' A' ' 45' ' ' LEU . 1.9 pp -63.45 -31.58 72.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.935 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.0 -35.29 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.95 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 32.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.99 -37.01 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 65.4 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.68 86.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.34 133.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 53.3 111.093 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.216 -0.897 . . . . 74.4 110.873 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.849 0.357 . . . . 72.4 111.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -59.9 -38.94 83.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.02 0.438 . . . . 70.2 110.919 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt0 -60.48 -35.89 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 73.0 110.975 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -31.96 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.802 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.133 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.22 -40.47 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 74.0 110.694 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 39' ' ' HIS . 54.0 mt -69.62 -49.93 49.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 72.5 110.871 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -59.82 -31.12 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.085 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t -74.06 -40.22 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 53.3 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -72.0 -35.96 69.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 55.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.9 -54.03 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.3 111.109 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.14 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.5 111.085 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 63.1 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 67.3 mm-40 -74.93 -38.57 61.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.895 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.22 -39.85 84.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.3 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -80.99 -31.14 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.092 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.08 -26.39 0.49 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.744 -0.741 . . . . 71.1 112.627 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -74.56 91.67 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 72.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -67.85 -51.24 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.841 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -31.79 68.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.805 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.27 -36.78 66.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.712 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -71.95 -37.24 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 55.4 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -60.21 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.946 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 75.2 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.54 -32.67 72.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 63.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 m-85 -60.41 -51.64 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.847 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -60.35 -37.65 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HB3' HD13 ' A' ' 17' ' ' LEU . 22.7 m170 -67.8 -32.2 72.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.876 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -80.06 -33.11 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.1 111.134 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.041 HG12 HD11 ' B' ' 123' ' ' LEU . 27.8 t -76.31 -35.83 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 64.5 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.08 -41.81 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.3 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.6 -34.01 75.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -59.75 -53.03 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 64.1 110.858 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' B' ' 123' ' ' LEU . 61.9 mt -67.36 -29.53 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.944 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.75 -50.46 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 72.2 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.11 -34.95 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.5 111.044 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 35.9 t -62.33 -35.99 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 63.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -31.2 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 65.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -115.7 32.09 6.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.011 -0.54 . . . . 65.5 110.903 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -177.57 39.2 0.0 OUTLIER 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.889 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -78.06 93.92 4.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 73.3 110.721 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -125.52 95.48 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.061 -0.518 . . . . 72.5 110.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.36 161.62 28.24 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.437 -0.887 . . . . 64.3 112.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.27 -31.55 17.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 122.704 -0.292 . . . . 73.4 110.684 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -60.08 -46.07 90.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.1 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.97 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 63.0 111.053 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.44 -31.78 73.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.942 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -69.97 -41.74 74.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 71.3 110.963 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -65.36 -54.96 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.941 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.0 pp -58.56 -37.93 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 75.2 111.193 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' CD ' HD12 ' B' ' 119' ' ' ILE . 8.3 mtm180 -64.5 -53.27 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 53.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -30.36 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.4 111.108 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 20.6 mttt -82.09 -31.49 30.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.864 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 m -71.15 -36.0 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -73.57 -43.69 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 74.1 110.921 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.34 -52.97 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 64' ' ' LYS . 22.5 m-85 -63.51 -35.13 79.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD13 ' HB2' ' B' ' 122' ' ' GLN . 15.6 mt -64.56 -45.62 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.901 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -60.49 -32.47 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -49.23 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.889 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -58.84 -50.23 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.113 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.552 ' HA ' HD21 ' B' ' 126' ' ' LEU . 0.5 OUTLIER -59.83 -34.14 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.901 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -71.7 -31.49 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.837 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 71' ' ' ARG . 8.1 mp -71.78 -45.07 62.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.919 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -60.26 -36.81 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.771 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.1 -53.6 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 52.4 110.616 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -32.11 71.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 75.4 110.491 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 75' ' ' LEU . 6.4 mt -65.47 -47.65 75.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 34.2 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -69.28 -46.9 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.908 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.693 0.282 . . . . 64.2 110.801 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.22 -36.58 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.366 -0.379 . . . . 50.5 110.924 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.39 -48.52 81.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.266 -0.424 . . . . 64.4 110.881 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.443 HD12 ' CD ' ' A' ' 62' ' ' ARG . 34.2 mt -68.73 -42.49 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.732 -0.667 . . . . 75.3 111.102 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -31.58 72.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.847 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -70.8 -38.4 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 63.4 110.803 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.826 ' HB2' HD13 ' A' ' 69' ' ' LEU . 4.1 mt-30 -60.2 -44.64 94.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 1.041 HD11 HG12 ' A' ' 41' ' ' VAL . 2.6 mt -60.2 -47.35 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.5 110.868 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -67.57 -31.63 71.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.07 65.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.083 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 73' ' ' GLU . 5.3 mt -79.99 -32.47 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.99 77.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 72.2 112.578 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.87 -30.81 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.2 111.123 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.239 -0.886 . . . . 52.5 110.884 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 64.2 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.5 tt -60.0 -39.74 86.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.824 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -70.59 -50.08 40.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.863 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -34.6 75.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.058 -0.519 . . . . 70.5 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -59.89 -52.1 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.1 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.86 -40.52 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.3 111.159 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -62.2 -45.31 93.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 39' ' ' HIS . 26.0 mt -65.49 -46.71 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 64.1 110.913 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -60.78 -41.7 96.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 75.3 111.092 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -31.52 71.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -74.33 -45.82 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.67 -39.68 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.099 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -40.26 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.092 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -60.22 -31.48 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -77.79 -34.04 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.843 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.16 -45.04 94.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.99 -31.48 34.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.5 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.13 88.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.2 111.051 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' CZ ' ' A' ' 30' ' ' TYR . . . 136.29 -27.57 2.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 73.1 112.512 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -59.67 162.17 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 73.4 110.975 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 28' ' ' GLY . 40.2 m-85 -145.74 -48.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 62.5 110.905 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.54 -52.01 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 65.3 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.4 pm0 -68.84 -32.06 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.824 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.25 -33.93 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.1 111.11 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -52.03 59.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.2 110.786 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.65 -40.65 95.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.954 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 32' ' ' GLU . 16.1 mt -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.909 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.802 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.0 m-85 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 64.5 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.77 -42.69 93.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' HB3' HD13 ' A' ' 17' ' ' LEU . 11.7 m170 -60.17 -52.94 63.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.2 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -59.83 -50.05 75.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 62.1 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 37' ' ' TYR . 31.4 t -62.07 -33.04 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.1 111.122 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' B' ' 123' ' ' LEU . 14.8 mm-40 -66.65 -40.07 88.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 62.3 110.905 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -73.03 -33.96 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 64.5 110.908 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.853 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.2 m-85 -58.33 -52.94 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.1 110.953 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 45' ' ' LEU . 7.9 tp -70.34 -30.49 67.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.893 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -59.02 -55.02 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.1 110.907 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.7 m -61.51 -38.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 65.5 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.939 HG21 HD13 ' A' ' 61' ' ' ILE . 38.6 t -63.6 -36.0 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 75.5 111.162 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -32.42 73.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.835 -0.62 . . . . 72.4 110.979 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -119.93 31.29 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.3 111.04 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -178.37 92.37 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.288 0.566 . . . . 72.1 111.012 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.85 106.33 10.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.907 -0.588 . . . . 53.1 110.979 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.63 33.26 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.903 -0.59 . . . . 40.3 110.909 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.52 -163.79 24.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.795 -0.717 . . . . 61.1 112.45 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -103.57 -31.06 10.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 122.716 -0.285 . . . . 72.3 111.174 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -46.54 88.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 61.2 111.263 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.39 96.56 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.102 -0.499 . . . . 63.2 111.225 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' HG13 ' A' ' 48' ' ' VAL . 26.8 mtpt -70.99 -32.06 68.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.893 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.34 -32.07 72.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.887 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 m -75.19 -54.98 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.2 110.965 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.939 HD13 HG21 ' A' ' 48' ' ' VAL . 2.4 pp -59.33 -39.28 78.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.188 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 61' ' ' ILE . 7.7 mtm180 -62.61 -49.83 73.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.865 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.53 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 51.2 111.048 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -81.54 -33.11 31.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' O ' HD12 ' A' ' 69' ' ' LEU . 61.5 m -66.21 -36.37 82.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 61.4 110.947 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -42.07 51.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 53.1 110.929 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.2 -42.39 94.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 65.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.02 -40.37 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 71.5 110.901 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' B' ' 123' ' ' LEU . 16.9 mt -60.33 -41.04 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.4 110.933 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -37.78 83.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.937 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.49 94.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.075 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.75 -39.67 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.56 89.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.951 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.5 -42.88 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.897 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -59.91 -36.47 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 50.2 110.906 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.22 -54.73 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.708 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -32.0 70.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 65.3 110.604 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.06 -49.23 73.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 64.2 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -78.16 -46.7 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 61.1 110.917 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.617 0.246 . . . . 53.4 110.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.27 -31.54 70.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.97 0.414 . . . . 51.3 110.719 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -41.6 81.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.339 -0.392 . . . . 74.3 110.726 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.574 ' O ' HD13 ' B' ' 123' ' ' LEU . 29.6 mt -71.77 -34.94 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.2 111.166 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.77 -47.29 66.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.1 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -32.02 71.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 53.2 110.721 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.465 ' HB3' HD13 ' A' ' 69' ' ' LEU . 27.7 mt-30 -60.21 -45.01 94.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.968 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.655 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.4 mp -63.86 -46.98 82.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 74.4 110.914 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -61.94 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.917 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.49 77.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 71.1 111.089 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.97 -43.7 82.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.924 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.39 67.23 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.4 112.517 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.05 -30.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 72.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.225 -0.893 . . . . 73.1 110.86 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.802 0.334 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -60.7 -37.13 80.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.887 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -71.58 -45.09 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.609 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -67.37 -31.9 72.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.156 -0.474 . . . . 70.2 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.8 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 52.4 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.73 -32.25 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.171 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.63 -43.54 65.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.59 -44.67 66.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.2 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.05 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 50.3 111.056 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -62.56 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.2 110.939 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.952 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.56 -51.32 70.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 72.5 111.104 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.09 71.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 65.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -50.23 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.4 110.944 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -60.32 -37.6 81.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.949 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -59.8 -45.93 90.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.85 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -81.07 -31.16 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.9 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.81 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.1 111.065 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.73 -27.57 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.718 -0.753 . . . . 62.2 112.596 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -78.64 91.32 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 73.1 110.941 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -66.74 -52.38 45.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 51.2 110.827 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.811 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.27 -36.73 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . . . -71.96 -34.36 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 75' ' ' LEU . 2.9 mt -63.87 -48.37 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.4 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -60.16 -40.67 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 71.2 110.933 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.0 -33.9 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.791 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 m-85 -60.3 -54.69 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.943 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -60.82 -45.49 94.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.947 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.33 -38.74 84.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 63.5 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 -48.57 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.4 111.072 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.3 t -63.39 -34.86 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 64.4 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -67.3 -37.58 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 54.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.0 -33.91 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -58.18 -53.05 62.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.5 110.895 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD22 HD21 ' B' ' 123' ' ' LEU . 6.5 tp -67.4 -30.0 69.66 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.201 -0.454 . . . . 54.4 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -59.38 -50.28 74.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.867 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.8 m -66.17 -33.39 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.127 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG21 HD13 ' A' ' 61' ' ' ILE . 33.9 t -65.06 -36.02 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 72.5 111.098 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -71.19 -34.58 71.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 74.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -114.37 29.19 8.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.26 81.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 64.2 110.85 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -109.41 117.01 32.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.326 -0.397 . . . . 73.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -71.4 0.21 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.991 -0.55 . . . . 65.3 110.909 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.43 -59.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.972 -0.632 . . . . 43.5 112.738 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -169.4 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 63.5 111.246 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.02 -45.5 90.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.971 -0.558 . . . . 72.3 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.57 94.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 74.4 111.089 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' CE ' ' HB1' ' A' ' 52' ' ' ALA . 1.8 mttm -70.45 -32.04 69.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.001 -0.545 . . . . 74.4 110.887 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -32.01 73.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 64.4 111.155 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -75.51 -55.0 6.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 51.2 111.016 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.069 HD13 HG21 ' A' ' 48' ' ' VAL . 2.2 pp -59.4 -39.12 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 72.3 111.187 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 61' ' ' ILE . 6.3 mtm180 -67.05 -54.05 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 61.3 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.01 69.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 42.2 110.935 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -77.79 -35.4 51.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 41' ' ' VAL . 46.4 m -71.31 -31.52 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.5 110.864 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.794 HG23 HG12 ' B' ' 119' ' ' ILE . 0.2 OUTLIER -72.59 -41.05 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.4 110.894 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.76 -41.05 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.818 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -74.03 -40.73 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' B' ' 122' ' ' GLN . 13.5 mt -62.36 -38.47 89.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.51 -40.9 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 12.9 ttt180 -60.14 -43.83 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD23 ' A' ' 34' ' ' LEU . . . -60.22 -41.13 92.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 72.3 111.096 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.34 -34.39 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -72.77 -37.81 67.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 71.1 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 34' ' ' LEU . 9.7 mp -67.76 -42.16 82.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -34.93 79.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.831 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -41.64 58.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.688 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -31.62 59.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.898 -0.592 . . . . 64.1 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 34' ' ' LEU . 24.0 mt -68.64 -52.48 30.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.915 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.78 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 75.4 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.899 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.225 -0.198 0 CA-C-O 121.078 0.466 . . . . 74.3 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.83 -33.44 64.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 74.1 110.673 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -50.96 44.46 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.171 -0.468 . . . . 70.3 110.84 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 66' ' ' THR . 37.5 mt -62.71 -34.14 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.216 -0.447 . . . . 70.0 111.028 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.526 ' HG3' HD23 ' A' ' 45' ' ' LEU . 2.4 tt0 -69.51 -35.04 75.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -70.21 -39.8 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 71.5 110.753 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.831 ' HB2' HD13 ' A' ' 69' ' ' LEU . 6.8 mt-30 -60.01 -54.08 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.762 HD21 HD22 ' A' ' 45' ' ' LEU . 3.8 pp -64.47 -31.67 72.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.2 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.465 ' N ' HD12 ' B' ' 123' ' ' LEU . 8.3 tttp -76.48 -31.55 57.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.2 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.18 -43.75 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 44.3 111.038 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.0 -31.2 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.08 127.32 4.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 74.5 112.489 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.1 p -177.32 138.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 71.2 111.072 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.18 -0.914 . . . . 72.2 110.953 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.785 0.326 . . . . 71.2 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.29 -50.3 74.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.391 . . . . 72.1 110.852 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -55.79 -31.05 62.3 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.982 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -71.63 -31.62 67.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.788 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.1 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.5 111.12 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 11' ' ' LEU . 4.3 mp -72.18 -46.62 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 74.4 110.994 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.17 -39.24 81.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.758 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 13' ' ' LYS . 56.8 mt -80.86 -32.05 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.047 -0.524 . . . . 71.3 110.791 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . . . -76.16 -31.23 58.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 61.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 t -73.17 -45.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.2 110.895 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -65.78 -31.39 72.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -73.07 -36.81 66.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.076 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 -50.05 29.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.4 111.19 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -33.02 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.4 111.009 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.689 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -69.42 -40.28 77.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.51 -42.82 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -36.7 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 62.3 110.861 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.22 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.131 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 134.1 -27.44 3.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 30.5 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 84.5 m-20 -67.49 158.43 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 63.4 110.847 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.679 ' O ' HD13 ' A' ' 34' ' ' LEU . 30.1 m-85 -142.63 -50.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.004 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -52.1 66.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.17 -32.85 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.707 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . . . -71.41 -34.01 69.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.481 . . . . 73.0 110.978 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 75' ' ' LEU . 5.5 mp -63.71 -46.7 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 71.3 110.795 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.49 -41.37 94.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.756 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 mt -72.98 -31.83 64.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.862 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.649 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.8 m-85 -61.41 -55.95 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.41 -47.81 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.05 -37.89 81.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 18' ' ' ALA . . . -66.33 -49.03 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 72.4 111.083 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.774 HG13 ' SG ' ' A' ' 65' ' ' CYS . 29.6 t -63.1 -33.0 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 61.1 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -41.64 98.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.92 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -72.98 -34.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -59.32 -53.01 63.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 53.4 110.922 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE ' ' A' ' 49' ' ' LYS . 7.4 tp -68.15 -29.45 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.027 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -58.27 -51.6 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.2 110.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.5 -30.59 47.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.241 -0.436 . . . . 62.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 61' ' ' ILE . 29.4 t -72.99 -38.19 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.46 -0.336 . . . . 74.4 111.075 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' CE ' HD23 ' A' ' 45' ' ' LEU . 21.2 mttt -65.63 -34.54 78.45 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.466 -0.333 . . . . 70.4 110.791 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.71 -72.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.427 -0.351 . . . . 75.3 110.874 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.13 83.45 7.34 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.086 0.47 . . . . 74.1 111.207 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.2 113.78 27.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.882 -0.599 . . . . 32.2 111.278 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -79.7 -69.29 0.59 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.868 0.366 . . . . 72.3 111.04 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.23 -178.9 27.38 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.216 -0.516 . . . . 33.1 112.978 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.35 -32.67 74.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 75.4 110.863 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.39 -50.67 72.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.878 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.35 88.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 64.2 111.179 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HG2' HG13 ' A' ' 48' ' ' VAL . 12.0 mtpt -67.16 -31.33 71.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 74.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.97 -33.91 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 74.3 110.729 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.9 m -73.12 -54.64 8.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 48' ' ' VAL . 2.3 pp -59.26 -37.93 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.4 111.095 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 61' ' ' ILE . 5.5 mtm180 -62.74 -53.14 58.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.854 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.72 -40.61 84.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 51.2 111.081 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -71.17 -31.46 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.874 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.774 ' SG ' HG13 ' A' ' 41' ' ' VAL . 14.3 m -65.41 -39.53 92.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.2 m -68.58 -39.09 81.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 62.4 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.0 -43.13 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.841 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 8.0 m-85 -76.34 -44.73 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.1 110.874 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 41' ' ' VAL . 10.0 mt -60.22 -49.09 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 65.5 110.926 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.83 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -78.62 -36.82 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 63.1 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.09 -40.13 80.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.1 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.98 -34.17 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 52.4 110.869 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.27 70.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.916 ' HB2' HD11 ' A' ' 34' ' ' LEU . 3.5 mt -71.08 -30.94 67.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.902 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -59.1 -51.01 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 70.3 110.937 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -71.0 -28.46 64.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 54.4 110.902 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.34 -47.71 80.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 74.1 110.83 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 80' ' ' LYS . 4.6 pp -91.97 -29.48 16.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 75.3 111.094 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.538 ' N ' HD12 ' A' ' 79' ' ' LEU . 9.9 tptt -69.86 -41.15 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 44.2 110.924 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.1 110.937 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.898 0.38 . . . . 72.3 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.79 -31.39 69.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.878 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -44.22 66.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.375 . . . . 70.1 110.836 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.3 mt -67.78 -34.18 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.1 111.209 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -69.66 -31.86 70.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 74.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -72.88 -40.12 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.4 110.734 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 69' ' ' LEU . 3.9 mt-30 -60.14 -44.59 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.937 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.742 HD21 HG12 ' A' ' 41' ' ' VAL . 7.9 mt -60.44 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.922 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -63.58 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.0 -57.09 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 74.1 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -31.26 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 63.4 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.93 92.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.473 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.07 153.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 61.1 111.103 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.322 -0.847 . . . . 65.1 110.907 -179.986 . . . . . . . . 0 0 . 1 stop_ save_